2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one

C12H15N3O — CID 117135546

IUPAC2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
SMILESO=c1ccn2[nH]c(C3CCCCC3)nc2c1
InChIInChI=1S/C12H15N3O/c16-10-6-7-15-11(8-10)13-12(14-15)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,14)
InChIKeyXJOWCBNUQZIRHC-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.07
Rot. Bonds1

About 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one

2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one (PubChem CID 117135546) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
PubChem CID117135546
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
SMILESO=c1ccn2[nH]c(C3CCCCC3)nc2c1
InChIInChI=1S/C12H15N3O/c16-10-6-7-15-11(8-10)13-12(14-15)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,14)
InChIKeyXJOWCBNUQZIRHC-UHFFFAOYSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The IUPAC name of 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one (CID 117135546) is 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one is O=c1ccn2[nH]c(C3CCCCC3)nc2c1.
What is the InChIKey of 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The InChIKey is XJOWCBNUQZIRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-10-6-7-15-11(8-10)13-12(14-15)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,13,14).
What are the key properties of 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one has a molecular weight of 217.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 117135546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).