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

C10H13N3O — CID 117132919

IUPAC2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)Cc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C10H13N3O/c1-7(2)6-8-11-9-4-3-5-10(14)13(9)12-8/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyQLJODRMUIBJWOQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.22
Rot. Bonds2

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

2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132919) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132919
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)Cc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C10H13N3O/c1-7(2)6-8-11-9-4-3-5-10(14)13(9)12-8/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyQLJODRMUIBJWOQ-UHFFFAOYSA-N
XLogP1.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(Difluoromethyl)-2-(pentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165478488
2-(Butan-2-yl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165478491
2-(Pentan-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165478544
2-(Butan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165478546
7-(Difluoromethyl)-2-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165788523
5-methyl-2-(2-methylpropyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 7337779
2,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyridin-5(1H)-one
CID 33748017
2-butan-2-yl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53391661
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-(oxolan-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131124
2-(1-methylpyrrolidin-3-yl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117131158

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132919) is 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(C)Cc1nc2cccc(=O)n2[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is QLJODRMUIBJWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(2)6-8-11-9-4-3-5-10(14)13(9)12-8/h3-5,7H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 191.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).