6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine

C13H14BrFN4 — CID 118368939

IUPAC6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine
SMILESCC(C)(CNc1ncc(Br)nn1)c1ccc(F)cc1
InChIInChI=1S/C13H14BrFN4/c1-13(2,9-3-5-10(15)6-4-9)8-17-12-16-7-11(14)18-19-12/h3-7H,8H2,1-2H3,(H,16,17,19)
InChIKeyZNLUAWCPXNPDFL-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.16
Rot. Bonds4

About 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine

6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine (PubChem CID 118368939) has the molecular formula C13H14BrFN4 and a molecular weight of 325.19 g/mol. Its IUPAC name is 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine
PubChem CID118368939
Molecular FormulaC13H14BrFN4
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine
SMILESCC(C)(CNc1ncc(Br)nn1)c1ccc(F)cc1
InChIInChI=1S/C13H14BrFN4/c1-13(2,9-3-5-10(15)6-4-9)8-17-12-16-7-11(14)18-19-12/h3-7H,8H2,1-2H3,(H,16,17,19)
InChIKeyZNLUAWCPXNPDFL-UHFFFAOYSA-N
XLogP3.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(phenylmethyl)-1,2,4-triazin-3-amine
CID 69105599
6-chloro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 169260373
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 170311292
3-chloro-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 55053261
3-chloro-N-[2-(3-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 55053309
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine
CID 55141300
N~1~-[2-(4-Fluorophenyl)ethyl]-N~2~-(1,2,4-triazin-3-yl)ethane-1,2-diamine
CID 71383128
3-N-[(2-fluorophenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938320
3-N-[(4-fluorophenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938321
3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938333
3-N-[2-(4-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938334
5-N-[(2-fluorophenyl)methyl]-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938519

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine (CID 118368939) is 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine is CC(C)(CNc1ncc(Br)nn1)c1ccc(F)cc1.
What is the InChIKey of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine?
The InChIKey is ZNLUAWCPXNPDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4/c1-13(2,9-3-5-10(15)6-4-9)8-17-12-16-7-11(14)18-19-12/h3-7H,8H2,1-2H3,(H,16,17,19).
What are the key properties of 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine?
6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine has a molecular weight of 325.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 118368939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).