3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile

C12H14N4 — CID 116989772

IUPAC3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
SMILESCc1ccn2nc(C(C#N)C(C)C)nc2c1
InChIInChI=1S/C12H14N4/c1-8(2)10(7-13)12-14-11-6-9(3)4-5-16(11)15-12/h4-6,8,10H,1-3H3
InChIKeyMCQSRKFZNKAVGI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile

3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile (PubChem CID 116989772) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile.

Molecular Properties

Compound Name3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
PubChem CID116989772
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
SMILESCc1ccn2nc(C(C#N)C(C)C)nc2c1
InChIInChI=1S/C12H14N4/c1-8(2)10(7-13)12-14-11-6-9(3)4-5-16(11)15-12/h4-6,8,10H,1-3H3
InChIKeyMCQSRKFZNKAVGI-UHFFFAOYSA-N
XLogP2.30
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989763
3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989744
7-methyl-2-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989776
2-(methoxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171439840
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721
2-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 16751701
2-(3-methoxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117133412
1-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanamine
CID 83832634
2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]-3-methylbutanenitrile
CID 116896585
(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
CID 116989727
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566323

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile?
The IUPAC name of 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile (CID 116989772) is 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile.
What is the SMILES notation for 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile?
The canonical SMILES for 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile is Cc1ccn2nc(C(C#N)C(C)C)nc2c1.
What is the InChIKey of 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile?
The InChIKey is MCQSRKFZNKAVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8(2)10(7-13)12-14-11-6-9(3)4-5-16(11)15-12/h4-6,8,10H,1-3H3.
What are the key properties of 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile?
3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile has a molecular weight of 214.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile is sourced from PubChem (CID 116989772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).