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

C12H21N5 — CID 102799843

IUPAC[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCC1CC1c1nc(N2CCCC(CN)C2)n[nH]1
InChIInChI=1S/C12H21N5/c1-8-5-10(8)11-14-12(16-15-11)17-4-2-3-9(6-13)7-17/h8-10H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyUSTUWHDYRHNAKJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.10
Rot. Bonds3

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

[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102799843) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102799843
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCC1CC1c1nc(N2CCCC(CN)C2)n[nH]1
InChIInChI=1S/C12H21N5/c1-8-5-10(8)11-14-12(16-15-11)17-4-2-3-9(6-13)7-17/h8-10H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyUSTUWHDYRHNAKJ-UHFFFAOYSA-N
XLogP1.10
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[5-(2-methylcyclopropyl)-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

N-methyl-1-[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799633
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874
[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799830
[1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799873
[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799765
[1-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800042
[1-[5-(propoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 114018304
3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797289
[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799886
[1-[5-(5-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799821
[1-[5-(3-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799797
[1-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799989

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102799843) is [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is CC1CC1c1nc(N2CCCC(CN)C2)n[nH]1.
What is the InChIKey of [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is USTUWHDYRHNAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-5-10(8)11-14-12(16-15-11)17-4-2-3-9(6-13)7-17/h8-10H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102799843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).