2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C15H23N3O — CID 165469851

IUPAC2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)Cc1cc(=O)n2[nH]c(CC(C)(C)C)nc2c1
InChIInChI=1S/C15H23N3O/c1-10(2)6-11-7-13-16-12(9-15(3,4)5)17-18(13)14(19)8-11/h7-8,10H,6,9H2,1-5H3,(H,16,17)
InChIKeyPWOIVJMLPCUBHA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.81
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165469851) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165469851
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)Cc1cc(=O)n2[nH]c(CC(C)(C)C)nc2c1
InChIInChI=1S/C15H23N3O/c1-10(2)6-11-7-13-16-12(9-15(3,4)5)17-18(13)14(19)8-11/h7-8,10H,6,9H2,1-5H3,(H,16,17)
InChIKeyPWOIVJMLPCUBHA-UHFFFAOYSA-N
XLogP2.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165469851) is 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(C)Cc1cc(=O)n2[nH]c(CC(C)(C)C)nc2c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is PWOIVJMLPCUBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)6-11-7-13-16-12(9-15(3,4)5)17-18(13)14(19)8-11/h7-8,10H,6,9H2,1-5H3,(H,16,17).
What are the key properties of 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 261.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-7-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165469851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).