(5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine

C11H11BrF2N4O — CID 106465281

IUPAC(5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESCn1nnc(Br)c1C(N)c1ccccc1OC(F)F
InChIInChI=1S/C11H11BrF2N4O/c1-18-9(10(12)16-17-18)8(15)6-4-2-3-5-7(6)19-11(13)14/h2-5,8,11H,15H2,1H3
InChIKeyZHGZANUWXDDILR-UHFFFAOYSA-N
MW333.14 g/mol
LogP2.23
Rot. Bonds4

About (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine

(5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine (PubChem CID 106465281) has the molecular formula C11H11BrF2N4O and a molecular weight of 333.14 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine
PubChem CID106465281
Molecular FormulaC11H11BrF2N4O
Molecular Weight333.14 g/mol
Exact Mass332.01
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESCn1nnc(Br)c1C(N)c1ccccc1OC(F)F
InChIInChI=1S/C11H11BrF2N4O/c1-18-9(10(12)16-17-18)8(15)6-4-2-3-5-7(6)19-11(13)14/h2-5,8,11H,15H2,1H3
InChIKeyZHGZANUWXDDILR-UHFFFAOYSA-N
XLogP2.23
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine 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 (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine (CID 106465281) is (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine is Cn1nnc(Br)c1C(N)c1ccccc1OC(F)F.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The InChIKey is ZHGZANUWXDDILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4O/c1-18-9(10(12)16-17-18)8(15)6-4-2-3-5-7(6)19-11(13)14/h2-5,8,11H,15H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine?
(5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine has a molecular weight of 333.14 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-[2-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 106465281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).