2,4-dimethyl-6-pentyl-1,3,5-triazine

C10H17N3 — CID 15211759

IUPAC2,4-dimethyl-6-pentyl-1,3,5-triazine
SMILESCCCCCc1nc(C)nc(C)n1
InChIInChI=1S/C10H17N3/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h4-7H2,1-3H3
InChIKeyXCPVNXXXQNQWGY-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.22
Rot. Bonds4

About 2,4-dimethyl-6-pentyl-1,3,5-triazine

2,4-dimethyl-6-pentyl-1,3,5-triazine (PubChem CID 15211759) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2,4-dimethyl-6-pentyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-pentyl-1,3,5-triazine
PubChem CID15211759
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2,4-dimethyl-6-pentyl-1,3,5-triazine
SMILESCCCCCc1nc(C)nc(C)n1
InChIInChI=1S/C10H17N3/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h4-7H2,1-3H3
InChIKeyXCPVNXXXQNQWGY-UHFFFAOYSA-N
XLogP2.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-6-pentyl-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-pentyl-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-pentyl-1,3,5-triazine (CID 15211759) is 2,4-dimethyl-6-pentyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-pentyl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-pentyl-1,3,5-triazine is CCCCCc1nc(C)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-pentyl-1,3,5-triazine?
The InChIKey is XCPVNXXXQNQWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h4-7H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-pentyl-1,3,5-triazine?
2,4-dimethyl-6-pentyl-1,3,5-triazine has a molecular weight of 179.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-pentyl-1,3,5-triazine is sourced from PubChem (CID 15211759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).