2-methyl-4-(1,3,5-triazin-2-yl)aniline

C10H10N4 — CID 82468520

IUPAC2-methyl-4-(1,3,5-triazin-2-yl)aniline
SMILESCc1cc(-c2ncncn2)ccc1N
InChIInChI=1S/C10H10N4/c1-7-4-8(2-3-9(7)11)10-13-5-12-6-14-10/h2-6H,11H2,1H3
InChIKeyKPZOKSJGDDVDSC-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.43
Rot. Bonds1

About 2-methyl-4-(1,3,5-triazin-2-yl)aniline

2-methyl-4-(1,3,5-triazin-2-yl)aniline (PubChem CID 82468520) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-methyl-4-(1,3,5-triazin-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(1,3,5-triazin-2-yl)aniline
PubChem CID82468520
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name2-methyl-4-(1,3,5-triazin-2-yl)aniline
SMILESCc1cc(-c2ncncn2)ccc1N
InChIInChI=1S/C10H10N4/c1-7-4-8(2-3-9(7)11)10-13-5-12-6-14-10/h2-6H,11H2,1H3
InChIKeyKPZOKSJGDDVDSC-UHFFFAOYSA-N
XLogP1.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(1,3,5-triazin-2-yl)aniline 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-(1,3,5-triazin-2-yl)aniline?
The IUPAC name of 2-methyl-4-(1,3,5-triazin-2-yl)aniline (CID 82468520) is 2-methyl-4-(1,3,5-triazin-2-yl)aniline.
What is the SMILES notation for 2-methyl-4-(1,3,5-triazin-2-yl)aniline?
The canonical SMILES for 2-methyl-4-(1,3,5-triazin-2-yl)aniline is Cc1cc(-c2ncncn2)ccc1N.
What is the InChIKey of 2-methyl-4-(1,3,5-triazin-2-yl)aniline?
The InChIKey is KPZOKSJGDDVDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-7-4-8(2-3-9(7)11)10-13-5-12-6-14-10/h2-6H,11H2,1H3.
What are the key properties of 2-methyl-4-(1,3,5-triazin-2-yl)aniline?
2-methyl-4-(1,3,5-triazin-2-yl)aniline has a molecular weight of 186.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,3,5-triazin-2-yl)aniline is sourced from PubChem (CID 82468520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).