1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone

C12H15N3O — CID 83887623

IUPAC1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCC(=O)c1cccc2nc(CC(C)C)nn12
InChIInChI=1S/C12H15N3O/c1-8(2)7-11-13-12-6-4-5-10(9(3)16)15(12)14-11/h4-6,8H,7H2,1-3H3
InChIKeyFVWLQWKLDGGHRX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone

1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (PubChem CID 83887623) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
PubChem CID83887623
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCC(=O)c1cccc2nc(CC(C)C)nn12
InChIInChI=1S/C12H15N3O/c1-8(2)7-11-13-12-6-4-5-10(9(3)16)15(12)14-11/h4-6,8H,7H2,1-3H3
InChIKeyFVWLQWKLDGGHRX-UHFFFAOYSA-N
XLogP2.13
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257648
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566913
2-(2-methylpropyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-6-carboxylic acid
CID 82473425
5-methyl-3-(2-methylpropyl)imidazo[1,2-a]pyridin-2-amine
CID 141154439
methyl 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257641
2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 110455263
methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257645
methyl 2-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257668
2-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117132360
1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine
CID 83866234
2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257671
2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257654

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The IUPAC name of 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (CID 83887623) is 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is CC(=O)c1cccc2nc(CC(C)C)nn12.
What is the InChIKey of 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The InChIKey is FVWLQWKLDGGHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)7-11-13-12-6-4-5-10(9(3)16)15(12)14-11/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone has a molecular weight of 217.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is sourced from PubChem (CID 83887623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).