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

C9H11N3O — CID 117132915

IUPAC2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCCc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C9H11N3O/c1-2-4-7-10-8-5-3-6-9(13)12(8)11-7/h3,5-6H,2,4H2,1H3,(H,10,11)
InChIKeyQVWPAWLUGSQNFZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.98
Rot. Bonds2

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

2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132915) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132915
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCCc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C9H11N3O/c1-2-4-7-10-8-5-3-6-9(13)12(8)11-7/h3,5-6H,2,4H2,1H3,(H,10,11)
InChIKeyQVWPAWLUGSQNFZ-UHFFFAOYSA-N
XLogP0.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132915) is 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCCc1nc2cccc(=O)n2[nH]1.
What is the InChIKey of 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is QVWPAWLUGSQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-4-7-10-8-5-3-6-9(13)12(8)11-7/h3,5-6H,2,4H2,1H3,(H,10,11).
What are the key properties of 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 177.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).