3-(3-bromophenyl)-1,2,4-triazin-5-amine

C9H7BrN4 — CID 83547754

IUPAC3-(3-bromophenyl)-1,2,4-triazin-5-amine
SMILESNc1cnnc(-c2cccc(Br)c2)n1
InChIInChI=1S/C9H7BrN4/c10-7-3-1-2-6(4-7)9-13-8(11)5-12-14-9/h1-5H,(H2,11,13,14)
InChIKeyBAHAPVLKCZJSQQ-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.88
Rot. Bonds1

About 3-(3-bromophenyl)-1,2,4-triazin-5-amine

3-(3-bromophenyl)-1,2,4-triazin-5-amine (PubChem CID 83547754) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-1,2,4-triazin-5-amine
PubChem CID83547754
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name3-(3-bromophenyl)-1,2,4-triazin-5-amine
SMILESNc1cnnc(-c2cccc(Br)c2)n1
InChIInChI=1S/C9H7BrN4/c10-7-3-1-2-6(4-7)9-13-8(11)5-12-14-9/h1-5H,(H2,11,13,14)
InChIKeyBAHAPVLKCZJSQQ-UHFFFAOYSA-N
XLogP1.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1,2,4-triazin-5-amine
CID 15272334
3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823963
3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine
CID 6403257
2-(3-bromophenyl)pyrimidine
CID 26967381
2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 66000373
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 159353991
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189983

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-bromophenyl)-1,2,4-triazin-5-amine (CID 83547754) is 3-(3-bromophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-1,2,4-triazin-5-amine is Nc1cnnc(-c2cccc(Br)c2)n1.
What is the InChIKey of 3-(3-bromophenyl)-1,2,4-triazin-5-amine?
The InChIKey is BAHAPVLKCZJSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-7-3-1-2-6(4-7)9-13-8(11)5-12-14-9/h1-5H,(H2,11,13,14).
What are the key properties of 3-(3-bromophenyl)-1,2,4-triazin-5-amine?
3-(3-bromophenyl)-1,2,4-triazin-5-amine has a molecular weight of 251.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 83547754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).