4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride

C8H15ClN4 — CID 138991550

IUPAC4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C8H14N4.ClH/c9-7-3-1-6(2-4-7)8-10-5-11-12-8;/h5-7H,1-4,9H2,(H,10,11,12);1H
InChIKeyASXBBGJDJUYORZ-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.21
Rot. Bonds1

About 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride

4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride (PubChem CID 138991550) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride
PubChem CID138991550
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC Name4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C8H14N4.ClH/c9-7-3-1-6(2-4-7)8-10-5-11-12-8;/h5-7H,1-4,9H2,(H,10,11,12);1H
InChIKeyASXBBGJDJUYORZ-UHFFFAOYSA-N
XLogP1.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride 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 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride (CID 138991550) is 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride?
The InChIKey is ASXBBGJDJUYORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c9-7-3-1-6(2-4-7)8-10-5-11-12-8;/h5-7H,1-4,9H2,(H,10,11,12);1H.
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride?
4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 138991550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).