SN 003

CAT: 0926-XHA80188-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-XHA80188-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

197801-88-0

Smiles

CCC (COC) N1C2=C (C (=NC (=C2) C) NC3=C (C=C (C=C3) OC) C) N=N1

Molecular Formula

C19H25N5O2

Molecular Weight

355.4 g/mol

Controlled

Chemical Information

1-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine

CAS Number	197801-88-0
PubChem CID	10291750
IUPAC Name	1-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
Molecular Formula	C19H25N5O2
Molecular Weight	355.4
XLogP	3.4
Topological Polar Surface Area	74.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	440

SMILES

CCC(COC)N1C2=C(C(=NC(=C2)C)NC3=C(C=C(C=C3)OC)C)N=N1

InChI

InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)

InChIKey

FZMBHAQCHCEGNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 197801-88-0

CID: 10291750

Formula: C19H25N5O2

MW: 355.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	355.20082506
Monoisotopic Mass	355.20082506
Topological Polar Surface Area	74.1 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RHA67252-01	CS-003
FT103051-01	TP 003
PWB47053-01	Sal-003
UDB27726-01	TG 003
EBC68068-01	Cl2A-SN-38
TDB61249-01	Sn-38-d3
MS16856-01	SN-38 glucuronide
PRO-1006-01	Cystatin SN, human, recombinant
FG184221-01	Sn-Glycerol 1-phosphate lithium
FH111141-01	3-O-Hexadecyl-sn-glycerol

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