2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one

C16H27N5O — CID 119874097

IUPAC2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCCCC1c1nnc2n1CCCC2
InChIInChI=1S/C16H27N5O/c1-2-7-12(17)16(22)20-10-5-3-8-13(20)15-19-18-14-9-4-6-11-21(14)15/h12-13H,2-11,17H2,1H3
InChIKeyAFMSFWLVEAYQBW-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one

2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one (PubChem CID 119874097) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one
PubChem CID119874097
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCCCC1c1nnc2n1CCCC2
InChIInChI=1S/C16H27N5O/c1-2-7-12(17)16(22)20-10-5-3-8-13(20)15-19-18-14-9-4-6-11-21(14)15/h12-13H,2-11,17H2,1H3
InChIKeyAFMSFWLVEAYQBW-UHFFFAOYSA-N
XLogP1.80
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one (CID 119874097) is 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCCCC1c1nnc2n1CCCC2.
What is the InChIKey of 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is AFMSFWLVEAYQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-7-12(17)16(22)20-10-5-3-8-13(20)15-19-18-14-9-4-6-11-21(14)15/h12-13H,2-11,17H2,1H3.
What are the key properties of 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one?
2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 305.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 119874097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).