CP-466722 500mg

CAT: 0628-A11086-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A11086-500Size:500 mg

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CAS Number

1080622-86-1

Chemical Information

CP466722

2-(6,7-dimethoxy-4-quinazolinyl)-5-(2-pyridinyl)-1,2,4-triazol-3-amine is a member of quinazolines.

CAS Number	1080622-86-1
PubChem CID	44551660
IUPAC Name	2-(6,7-dimethoxyquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine
Molecular Formula	C17H15N7O2
Molecular Weight	349.3
XLogP	1.8
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	470

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC

InChI

InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)

InChIKey

ILBRKJBKDGCSCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1080622-86-1

CID: 44551660

Formula: C17H15N7O2

MW: 349.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.3
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	349.12872275
Monoisotopic Mass	349.12872275
Topological Polar Surface Area	114 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	470
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T6261-01	CP-466722
MBS132498-01	CP 466722