4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one

C12H17N3O — CID 59541821

IUPAC4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one
SMILESO=C1CCC(c2nc3n(n2)CCCC3)CC1
InChIInChI=1S/C12H17N3O/c16-10-6-4-9(5-7-10)12-13-11-3-1-2-8-15(11)14-12/h9H,1-8H2
InChIKeyRHLVHVVCEPDIBW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.84
Rot. Bonds1

About 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one

4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one (PubChem CID 59541821) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one
PubChem CID59541821
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one
SMILESO=C1CCC(c2nc3n(n2)CCCC3)CC1
InChIInChI=1S/C12H17N3O/c16-10-6-4-9(5-7-10)12-13-11-3-1-2-8-15(11)14-12/h9H,1-8H2
InChIKeyRHLVHVVCEPDIBW-UHFFFAOYSA-N
XLogP1.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one (CID 59541821) is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one is O=C1CCC(c2nc3n(n2)CCCC3)CC1.
What is the InChIKey of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one?
The InChIKey is RHLVHVVCEPDIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-10-6-4-9(5-7-10)12-13-11-3-1-2-8-15(11)14-12/h9H,1-8H2.
What are the key properties of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one?
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one has a molecular weight of 219.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 59541821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).