2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C10H13N3O — CID 117132946

IUPAC2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)(C)c1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C10H13N3O/c1-10(2,3)9-11-7-5-4-6-8(14)13(7)12-9/h4-6H,1-3H3,(H,11,12)
InChIKeyQMYQZIYVRGESQH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.32
Rot. Bonds

About 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132946) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132946
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)(C)c1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C10H13N3O/c1-10(2,3)9-11-7-5-4-6-8(14)13(7)12-9/h4-6H,1-3H3,(H,11,12)
InChIKeyQMYQZIYVRGESQH-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Tert-butyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165478538
2-Tert-butyl-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 165479216
ethane;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 172614898
2,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyridin-5(1H)-one
CID 33748017
2-tert-butyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53391660
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-(2,2-dimethylpropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117132923
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-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132946) is 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(C)(C)c1nc2cccc(=O)n2[nH]1.
What is the InChIKey of 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is QMYQZIYVRGESQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)9-11-7-5-4-6-8(14)13(7)12-9/h4-6H,1-3H3,(H,11,12).
What are the key properties of 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 191.23 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).