2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C9H11N3O — CID 117132943

IUPAC2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)c1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C9H11N3O/c1-6(2)9-10-7-4-3-5-8(13)12(7)11-9/h3-6H,1-2H3,(H,10,11)
InChIKeyWUVPHHHGHJEZKH-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.15
Rot. Bonds1

About 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132943) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132943
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)c1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C9H11N3O/c1-6(2)9-10-7-4-3-5-8(13)12(7)11-9/h3-6H,1-2H3,(H,10,11)
InChIKeyWUVPHHHGHJEZKH-UHFFFAOYSA-N
XLogP1.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165470663
7-(Difluoromethyl)-2-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165470797
2-(Propan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165478539
7-(Difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165479218
7-Methyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165961053
5-Methyl-2-(1-methylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 45920495
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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132943) is 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(C)c1nc2cccc(=O)n2[nH]1.
What is the InChIKey of 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is WUVPHHHGHJEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6(2)9-10-7-4-3-5-8(13)12(7)11-9/h3-6H,1-2H3,(H,10,11).
What are the key properties of 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 177.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).