cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine

C8H14N4 — CID 67491434

IUPACcis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](n2cnnc2)C1
InChIInChI=1S/C8H14N4/c9-7-2-1-3-8(4-7)12-5-10-11-6-12/h5-8H,1-4,9H2/t7-,8+/m1/s1
InChIKeyWNWTWTCJBALFSN-SFYZADRCSA-N
MW166.23 g/mol
LogP0.72
Rot. Bonds1

About cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine

cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine (PubChem CID 67491434) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine
PubChem CID67491434
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Namecis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](n2cnnc2)C1
InChIInChI=1S/C8H14N4/c9-7-2-1-3-8(4-7)12-5-10-11-6-12/h5-8H,1-4,9H2/t7-,8+/m1/s1
InChIKeyWNWTWTCJBALFSN-SFYZADRCSA-N
XLogP0.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-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 cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine (CID 67491434) is cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine is N[C@@H]1CCC[C@H](n2cnnc2)C1.
What is the InChIKey of cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The InChIKey is WNWTWTCJBALFSN-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14N4/c9-7-2-1-3-8(4-7)12-5-10-11-6-12/h5-8H,1-4,9H2/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1,2,4-triazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 67491434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).