3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile

C14H11N5 — CID 82556574

IUPAC3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile
SMILESCc1cc(-c2cccc(C#N)c2)cn2nc(N)nc12
InChIInChI=1S/C14H11N5/c1-9-5-12(8-19-13(9)17-14(16)18-19)11-4-2-3-10(6-11)7-15/h2-6,8H,1H3,(H2,16,18)
InChIKeyTXJPITPDFAMTEZ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.16
Rot. Bonds1

About 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile

3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile (PubChem CID 82556574) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile
PubChem CID82556574
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile
SMILESCc1cc(-c2cccc(C#N)c2)cn2nc(N)nc12
InChIInChI=1S/C14H11N5/c1-9-5-12(8-19-13(9)17-14(16)18-19)11-4-2-3-10(6-11)7-15/h2-6,8H,1H3,(H2,16,18)
InChIKeyTXJPITPDFAMTEZ-UHFFFAOYSA-N
XLogP2.16
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethylphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556529
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
CID 82556414
3-[5-(3,5-diamino-1,2,4-triazol-1-yl)-2-pyridinyl]benzonitrile
CID 66694907
3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 79730248
3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile
CID 82389497
3-(3-methyl-4-propan-2-ylphenyl)benzonitrile
CID 156559237
3-(6-amino-4-methyl-3-pyridinyl)benzonitrile
CID 79020234
3-(3-hydroxy-4-methylphenyl)benzonitrile
CID 53218797
3-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 162688295
3-[4-(hydroxymethyl)-3-methylphenyl]benzonitrile
CID 69444919
3-[5-chloro-3-(2,6-dimethyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzonitrile
CID 157038252
3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 107646385

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile?
The IUPAC name of 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile (CID 82556574) is 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile.
What is the SMILES notation for 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile?
The canonical SMILES for 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile is Cc1cc(-c2cccc(C#N)c2)cn2nc(N)nc12.
What is the InChIKey of 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile?
The InChIKey is TXJPITPDFAMTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-9-5-12(8-19-13(9)17-14(16)18-19)11-4-2-3-10(6-11)7-15/h2-6,8H,1H3,(H2,16,18).
What are the key properties of 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile?
3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile is sourced from PubChem (CID 82556574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).