[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine

C16H25N5 — CID 117132270

IUPAC[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESCC(C)N1CCCC(Cc2nc3cccc(CN)n3n2)C1
InChIInChI=1S/C16H25N5/c1-12(2)20-8-4-5-13(11-20)9-15-18-16-7-3-6-14(10-17)21(16)19-15/h3,6-7,12-13H,4-5,8-11,17H2,1-2H3
InChIKeyUMQILAMOTLFARG-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.85
Rot. Bonds4

About [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine

[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (PubChem CID 117132270) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
PubChem CID117132270
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESCC(C)N1CCCC(Cc2nc3cccc(CN)n3n2)C1
InChIInChI=1S/C16H25N5/c1-12(2)20-8-4-5-13(11-20)9-15-18-16-7-3-6-14(10-17)21(16)19-15/h3,6-7,12-13H,4-5,8-11,17H2,1-2H3
InChIKeyUMQILAMOTLFARG-UHFFFAOYSA-N
XLogP1.85
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine 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-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The IUPAC name of [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (CID 117132270) is [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The canonical SMILES for [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is CC(C)N1CCCC(Cc2nc3cccc(CN)n3n2)C1.
What is the InChIKey of [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The InChIKey is UMQILAMOTLFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(2)20-8-4-5-13(11-20)9-15-18-16-7-3-6-14(10-17)21(16)19-15/h3,6-7,12-13H,4-5,8-11,17H2,1-2H3.
What are the key properties of [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117132270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).