MSC 2032964A

CAT: 0926-ZUB38143-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ZUB38143-02Size:100 mg

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

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CAS Number

1124381-43-6

MDL Number

MFCD30182335

Smiles

C1CC1NC2=CC (=CC3=NC (=NN23) NC (=O) C4=CN=CC=C4) C (F) (F) F

Molecular Formula

C16H13F3N6O

Molecular Weight

362.31 g/mol

Controlled

Chemical Information

Msc2032964A

CAS Number	1124381-43-6
PubChem CID	25214468
IUPAC Name	N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
Molecular Formula	C16H13F3N6O
Molecular Weight	362.31
XLogP	2.6
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	529

SMILES

C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F

InChI

InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)

InChIKey

XUKGFHHTSUKORV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1124381-43-6

CID: 25214468

Formula: C16H13F3N6O

MW: 362.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.31
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	362.11029355
Monoisotopic Mass	362.11029355
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	529
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
523124	MSC 2032964A