2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine

C11H20N4 — CID 61347285

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine
SMILESCc1nc(C)n(C2CCCCCC2N)n1
InChIInChI=1S/C11H20N4/c1-8-13-9(2)15(14-8)11-7-5-3-4-6-10(11)12/h10-11H,3-7,12H2,1-2H3
InChIKeyRIHBGNHHPMQCAO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.73
Rot. Bonds1

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine

2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine (PubChem CID 61347285) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine
PubChem CID61347285
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine
SMILESCc1nc(C)n(C2CCCCCC2N)n1
InChIInChI=1S/C11H20N4/c1-8-13-9(2)15(14-8)11-7-5-3-4-6-10(11)12/h10-11H,3-7,12H2,1-2H3
InChIKeyRIHBGNHHPMQCAO-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine 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-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine (CID 61347285) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine is Cc1nc(C)n(C2CCCCCC2N)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine?
The InChIKey is RIHBGNHHPMQCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-13-9(2)15(14-8)11-7-5-3-4-6-10(11)12/h10-11H,3-7,12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)cycloheptan-1-amine is sourced from PubChem (CID 61347285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).