(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine

C10H10BrFN4 — CID 114886665

IUPAC(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1c(F)cccc1Br
InChIInChI=1S/C10H10BrFN4/c1-16-8(5-14-15-16)10(13)9-6(11)3-2-4-7(9)12/h2-5,10H,13H2,1H3
InChIKeyXYDVPDQKBCLWED-UHFFFAOYSA-N
MW285.12 g/mol
LogP1.76
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine

(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 114886665) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine
PubChem CID114886665
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1c(F)cccc1Br
InChIInChI=1S/C10H10BrFN4/c1-16-8(5-14-15-16)10(13)9-6(11)3-2-4-7(9)12/h2-5,10H,13H2,1H3
InChIKeyXYDVPDQKBCLWED-UHFFFAOYSA-N
XLogP1.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 114886847
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686969
[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methyltriazol-4-yl)methanamine
CID 114688634
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
2-(2-bromophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114688242
2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 115836004
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688993

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine (CID 114886665) is (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine is Cn1nncc1C(N)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is XYDVPDQKBCLWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4/c1-16-8(5-14-15-16)10(13)9-6(11)3-2-4-7(9)12/h2-5,10H,13H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine?
(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 285.12 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114886665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).