2-cyclohex-2-en-1-yl-1,3,5-triazine

C9H11N3 — CID 70120396

IUPAC2-cyclohex-2-en-1-yl-1,3,5-triazine
SMILESC1=CC(c2ncncn2)CCC1
InChIInChI=1S/C9H11N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h2,4,6-8H,1,3,5H2
InChIKeyMGANHTYOMSVPJZ-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.70
Rot. Bonds1

About 2-cyclohex-2-en-1-yl-1,3,5-triazine

2-cyclohex-2-en-1-yl-1,3,5-triazine (PubChem CID 70120396) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-1,3,5-triazine
PubChem CID70120396
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-cyclohex-2-en-1-yl-1,3,5-triazine
SMILESC1=CC(c2ncncn2)CCC1
InChIInChI=1S/C9H11N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h2,4,6-8H,1,3,5H2
InChIKeyMGANHTYOMSVPJZ-UHFFFAOYSA-N
XLogP1.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohex-2-en-1-yl-1,3,5-triazine 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-cyclohex-2-en-1-yl-1,3,5-triazine?
The IUPAC name of 2-cyclohex-2-en-1-yl-1,3,5-triazine (CID 70120396) is 2-cyclohex-2-en-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-1,3,5-triazine?
The canonical SMILES for 2-cyclohex-2-en-1-yl-1,3,5-triazine is C1=CC(c2ncncn2)CCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-1,3,5-triazine?
The InChIKey is MGANHTYOMSVPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h2,4,6-8H,1,3,5H2.
What are the key properties of 2-cyclohex-2-en-1-yl-1,3,5-triazine?
2-cyclohex-2-en-1-yl-1,3,5-triazine has a molecular weight of 161.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-1,3,5-triazine is sourced from PubChem (CID 70120396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).