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

C11H15N3O — CID 117132923

IUPAC2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)(C)Cc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C11H15N3O/c1-11(2,3)7-8-12-9-5-4-6-10(15)14(9)13-8/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyBNYVCCSVXVSLMT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.61
Rot. Bonds1

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

2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132923) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132923
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)(C)Cc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C11H15N3O/c1-11(2,3)7-8-12-9-5-4-6-10(15)14(9)13-8/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyBNYVCCSVXVSLMT-UHFFFAOYSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methylbutan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165478547
7-(Difluoromethyl)-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165896167
7-(Difluoromethyl)-2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165956992
2-(2,2-Dimethylpropyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165961055
2,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyridin-5(1H)-one
CID 33748017
2-(3-methoxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131034
2-(2-methoxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131068
2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132911
2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132915
2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132919
2-methyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132938
2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132943

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132923) is 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(C)(C)Cc1nc2cccc(=O)n2[nH]1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is BNYVCCSVXVSLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,3)7-8-12-9-5-4-6-10(15)14(9)13-8/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 205.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).