3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine

C9H15N5 — CID 130900420

IUPAC3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC1(Nc2n[nH]c(N)n2)CC=CCC1
InChIInChI=1S/C9H15N5/c1-9(5-3-2-4-6-9)12-8-11-7(10)13-14-8/h2-3H,4-6H2,1H3,(H4,10,11,12,13,14)
InChIKeyWTRHOZIWODSLHW-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.30
Rot. Bonds2

About 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine

3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 130900420) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID130900420
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC1(Nc2n[nH]c(N)n2)CC=CCC1
InChIInChI=1S/C9H15N5/c1-9(5-3-2-4-6-9)12-8-11-7(10)13-14-8/h2-3H,4-6H2,1H3,(H4,10,11,12,13,14)
InChIKeyWTRHOZIWODSLHW-UHFFFAOYSA-N
XLogP1.30
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine 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 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine (CID 130900420) is 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine is CC1(Nc2n[nH]c(N)n2)CC=CCC1.
What is the InChIKey of 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is WTRHOZIWODSLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-9(5-3-2-4-6-9)12-8-11-7(10)13-14-8/h2-3H,4-6H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 193.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-methylcyclohex-3-en-1-yl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 130900420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).