2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine

C8H9N3 — CID 23516477

IUPAC2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine
SMILESCC#Cc1nc(C)nc(C)n1
InChIInChI=1S/C8H9N3/c1-4-5-8-10-6(2)9-7(3)11-8/h1-3H3
InChIKeyIXOZSBNXXKJWAY-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.86
Rot. Bonds

About 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine

2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine (PubChem CID 23516477) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine
PubChem CID23516477
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine
SMILESCC#Cc1nc(C)nc(C)n1
InChIInChI=1S/C8H9N3/c1-4-5-8-10-6(2)9-7(3)11-8/h1-3H3
InChIKeyIXOZSBNXXKJWAY-UHFFFAOYSA-N
XLogP0.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-6-prop-1-ynyl-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 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine (CID 23516477) is 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine is CC#Cc1nc(C)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine?
The InChIKey is IXOZSBNXXKJWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-4-5-8-10-6(2)9-7(3)11-8/h1-3H3.
What are the key properties of 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine?
2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine has a molecular weight of 147.18 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-prop-1-ynyl-1,3,5-triazine is sourced from PubChem (CID 23516477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).