3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine

C34H29Br3F4N10 — CID 160717337

IUPAC3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine
SMILESCC(C)(N)c1ncccc1F.CC(C)(Nc1ncc(-c2cc(Br)ccc2F)nn1)c1ncccc1F.Fc1ccc(Br)cc1-c1cnc(Br)nn1
InChIInChI=1S/C17H14BrF2N5.C9H4Br2FN3.C8H11FN2/c1-17(2,15-13(20)4-3-7-21-15)23-16-22-9-14(24-25-16)11-8-10(18)5-6-12(11)19;10-5-1-2-7(12)6(3-5)8-4-13-9(11)15-14-8;1-8(2,10)7-6(9)4-3-5-11-7/h3-9H,1-2H3,(H,22,23,25);1-4H;3-5H,10H2,1-2H3
InChIKeyRSQLNVMBVMXISU-UHFFFAOYSA-N
MW893.38 g/mol
LogP8.94
Rot. Bonds6

About 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine

3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine (PubChem CID 160717337) has the molecular formula C34H29Br3F4N10 and a molecular weight of 893.38 g/mol. Its IUPAC name is 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine
PubChem CID160717337
Molecular FormulaC34H29Br3F4N10
Molecular Weight893.38 g/mol
Exact Mass890.01
IUPAC Name3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine
SMILESCC(C)(N)c1ncccc1F.CC(C)(Nc1ncc(-c2cc(Br)ccc2F)nn1)c1ncccc1F.Fc1ccc(Br)cc1-c1cnc(Br)nn1
InChIInChI=1S/C17H14BrF2N5.C9H4Br2FN3.C8H11FN2/c1-17(2,15-13(20)4-3-7-21-15)23-16-22-9-14(24-25-16)11-8-10(18)5-6-12(11)19;10-5-1-2-7(12)6(3-5)8-4-13-9(11)15-14-8;1-8(2,10)7-6(9)4-3-5-11-7/h3-9H,1-2H3,(H,22,23,25);1-4H;3-5H,10H2,1-2H3
InChIKeyRSQLNVMBVMXISU-UHFFFAOYSA-N
XLogP8.94
TPSA141.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.38
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine?
The IUPAC name of 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine (CID 160717337) is 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine?
The canonical SMILES for 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine is CC(C)(N)c1ncccc1F.CC(C)(Nc1ncc(-c2cc(Br)ccc2F)nn1)c1ncccc1F.Fc1ccc(Br)cc1-c1cnc(Br)nn1.
What is the InChIKey of 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine?
The InChIKey is RSQLNVMBVMXISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2N5.C9H4Br2FN3.C8H11FN2/c1-17(2,15-13(20)4-3-7-21-15)23-16-22-9-14(24-25-16)11-8-10(18)5-6-12(11)19;10-5-1-2-7(12)6(3-5)8-4-13-9(11)15-14-8;1-8(2,10)7-6(9)4-3-5-11-7/h3-9H,1-2H3,(H,22,23,25);1-4H;3-5H,10H2,1-2H3.
What are the key properties of 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine?
3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine has a molecular weight of 893.38 g/mol, XLogP of 8.94, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(5-bromo-2-fluorophenyl)-1,2,4-triazine;6-(5-bromo-2-fluorophenyl)-N-[2-(3-fluoro-2-pyridinyl)propan-2-yl]-1,2,4-triazin-3-amine;2-(3-fluoro-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 160717337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).