3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C12H14N4 — CID 105392564

IUPAC3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCC(C)C(C)c1nnc2ccc(C#N)cn12
InChIInChI=1S/C12H14N4/c1-8(2)9(3)12-15-14-11-5-4-10(6-13)7-16(11)12/h4-5,7-9H,1-3H3
InChIKeyOGSWQPLHCTZERJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.36
Rot. Bonds2

About 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392564) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392564
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCC(C)C(C)c1nnc2ccc(C#N)cn12
InChIInChI=1S/C12H14N4/c1-8(2)9(3)12-15-14-11-5-4-10(6-13)7-16(11)12/h4-5,7-9H,1-3H3
InChIKeyOGSWQPLHCTZERJ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392776
3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392819
3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392749
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392541
3-(2-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392680
3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392803
2-amino-N-[(1S,2S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxypropyl]-2-methylpropanamide
CID 58784084
3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392508
4-[(2R)-3-methylbutan-2-yl]benzonitrile
CID 89060357
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392564) is 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is CC(C)C(C)c1nnc2ccc(C#N)cn12.
What is the InChIKey of 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is OGSWQPLHCTZERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8(2)9(3)12-15-14-11-5-4-10(6-13)7-16(11)12/h4-5,7-9H,1-3H3.
What are the key properties of 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).