[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine

C15H29N5 — CID 102799765

IUPAC[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
SMILESCCCC(CCC)c1nc(N2CCCC(CN)C2)n[nH]1
InChIInChI=1S/C15H29N5/c1-3-6-13(7-4-2)14-17-15(19-18-14)20-9-5-8-12(10-16)11-20/h12-13H,3-11,16H2,1-2H3,(H,17,18,19)
InChIKeyDAZMNNXXCGXYOV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.66
Rot. Bonds7

About [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine

[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine (PubChem CID 102799765) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
PubChem CID102799765
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
SMILESCCCC(CCC)c1nc(N2CCCC(CN)C2)n[nH]1
InChIInChI=1S/C15H29N5/c1-3-6-13(7-4-2)14-17-15(19-18-14)20-9-5-8-12(10-16)11-20/h12-13H,3-11,16H2,1-2H3,(H,17,18,19)
InChIKeyDAZMNNXXCGXYOV-UHFFFAOYSA-N
XLogP2.66
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-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

Related Compounds

[1-[5-(propoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 114018304
[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800780
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874
[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799843
[1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799873
[1-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800042
[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799830
[1-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799989
3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276249
[1-[5-(3-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800698
[1-[5-(3-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799797
1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol
CID 102794422

Frequently Asked Questions

What is the IUPAC name of [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine (CID 102799765) is [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine is CCCC(CCC)c1nc(N2CCCC(CN)C2)n[nH]1.
What is the InChIKey of [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine?
The InChIKey is DAZMNNXXCGXYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-3-6-13(7-4-2)14-17-15(19-18-14)20-9-5-8-12(10-16)11-20/h12-13H,3-11,16H2,1-2H3,(H,17,18,19).
What are the key properties of [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine?
[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine has a molecular weight of 279.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 102799765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).