5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine

C11H21N5 — CID 112597167

IUPAC5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2(CN)CCCCC2)n1C
InChIInChI=1S/C11H21N5/c1-13-10-15-14-9(16(10)2)11(8-12)6-4-3-5-7-11/h3-8,12H2,1-2H3,(H,13,15)
InChIKeyAFYWXCMLWBIRDN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.02
Rot. Bonds3

About 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine

5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112597167) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112597167
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2(CN)CCCCC2)n1C
InChIInChI=1S/C11H21N5/c1-13-10-15-14-9(16(10)2)11(8-12)6-4-3-5-7-11/h3-8,12H2,1-2H3,(H,13,15)
InChIKeyAFYWXCMLWBIRDN-UHFFFAOYSA-N
XLogP1.02
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine 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

5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596499
5-(3-ethylpyrrolidin-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597280
5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine
CID 115437081
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cycloheptyl]methanamine
CID 115444483
[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443651
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
CID 115444888
[1-(1,2,5-trimethylpyrrol-3-yl)cyclohexyl]methanamine
CID 82494187
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
[1-(1-methylimidazo[4,5-c]pyridin-2-yl)cycloheptyl]methanamine
CID 115443687
[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine
CID 113310873

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112597167) is 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(C2(CN)CCCCC2)n1C.
What is the InChIKey of 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is AFYWXCMLWBIRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-13-10-15-14-9(16(10)2)11(8-12)6-4-3-5-7-11/h3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine?
5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).