2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine

C8H11N3 — CID 139332536

IUPAC2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine
SMILESC=C(C)Cc1ncnc(C)n1
InChIInChI=1S/C8H11N3/c1-6(2)4-8-10-5-9-7(3)11-8/h5H,1,4H2,2-3H3
InChIKeyYUUOHRPWZFNSRI-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.30
Rot. Bonds2

About 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine

2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine (PubChem CID 139332536) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine
PubChem CID139332536
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine
SMILESC=C(C)Cc1ncnc(C)n1
InChIInChI=1S/C8H11N3/c1-6(2)4-8-10-5-9-7(3)11-8/h5H,1,4H2,2-3H3
InChIKeyYUUOHRPWZFNSRI-UHFFFAOYSA-N
XLogP1.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(2-methylprop-2-enyl)-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-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine (CID 139332536) is 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine is C=C(C)Cc1ncnc(C)n1.
What is the InChIKey of 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine?
The InChIKey is YUUOHRPWZFNSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6(2)4-8-10-5-9-7(3)11-8/h5H,1,4H2,2-3H3.
What are the key properties of 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine?
2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine has a molecular weight of 149.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylprop-2-enyl)-1,3,5-triazine is sourced from PubChem (CID 139332536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).