2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline

C10H10F2N4O — CID 118343283

IUPAC2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccc(N)c(OC(F)F)c1
InChIInChI=1S/C10H10F2N4O/c1-16-5-14-15-9(16)6-2-3-7(13)8(4-6)17-10(11)12/h2-5,10H,13H2,1H3
InChIKeyIYHPIWQJTLHVHN-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.67
Rot. Bonds3

About 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline

2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 118343283) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID118343283
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccc(N)c(OC(F)F)c1
InChIInChI=1S/C10H10F2N4O/c1-16-5-14-15-9(16)6-2-3-7(13)8(4-6)17-10(11)12/h2-5,10H,13H2,1H3
InChIKeyIYHPIWQJTLHVHN-UHFFFAOYSA-N
XLogP1.67
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-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-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 118343283) is 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline is Cn1cnnc1-c1ccc(N)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is IYHPIWQJTLHVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c1-16-5-14-15-9(16)6-2-3-7(13)8(4-6)17-10(11)12/h2-5,10H,13H2,1H3.
What are the key properties of 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline?
2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 240.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 118343283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).