2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile

C18H12N6 — CID 67216001

IUPAC2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nc2ccc(-c3cccnc3)cn2n1
InChIInChI=1S/C18H12N6/c19-10-13-4-1-2-6-16(13)21-18-22-17-8-7-15(12-24(17)23-18)14-5-3-9-20-11-14/h1-9,11-12H,(H,21,23)
InChIKeyIXKWWGOFVKUCEI-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.41
Rot. Bonds3

About 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile

2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile (PubChem CID 67216001) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
PubChem CID67216001
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nc2ccc(-c3cccnc3)cn2n1
InChIInChI=1S/C18H12N6/c19-10-13-4-1-2-6-16(13)21-18-22-17-8-7-15(12-24(17)23-18)14-5-3-9-20-11-14/h1-9,11-12H,(H,21,23)
InChIKeyIXKWWGOFVKUCEI-UHFFFAOYSA-N
XLogP3.41
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile?
The IUPAC name of 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile (CID 67216001) is 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile?
The canonical SMILES for 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile is N#Cc1ccccc1Nc1nc2ccc(-c3cccnc3)cn2n1.
What is the InChIKey of 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile?
The InChIKey is IXKWWGOFVKUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c19-10-13-4-1-2-6-16(13)21-18-22-17-8-7-15(12-24(17)23-18)14-5-3-9-20-11-14/h1-9,11-12H,(H,21,23).
What are the key properties of 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile?
2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile has a molecular weight of 312.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile is sourced from PubChem (CID 67216001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).