6-(4-bromophenyl)-1,2,4-triazin-5-amine

C9H7BrN4 — CID 116822965

IUPAC6-(4-bromophenyl)-1,2,4-triazin-5-amine
SMILESNc1ncnnc1-c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-9(11)12-5-13-14-8/h1-5H,(H2,11,12,13)
InChIKeyPHPWEOGLTWTNFW-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.88
Rot. Bonds1

About 6-(4-bromophenyl)-1,2,4-triazin-5-amine

6-(4-bromophenyl)-1,2,4-triazin-5-amine (PubChem CID 116822965) has the molecular formula C9H7BrN4 and a molecular weight of 251.09 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-1,2,4-triazin-5-amine
PubChem CID116822965
Molecular FormulaC9H7BrN4
Molecular Weight251.09 g/mol
Exact Mass249.99
IUPAC Name6-(4-bromophenyl)-1,2,4-triazin-5-amine
SMILESNc1ncnnc1-c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-9(11)12-5-13-14-8/h1-5H,(H2,11,12,13)
InChIKeyPHPWEOGLTWTNFW-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

6-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 116822964
6-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116822966
6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822998
6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 116822961
3-(4-bromophenyl)-1,2,4,5-tetrazine
CID 642839
6-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116823084
3-(4-bromophenyl)-4-methylpyridazine
CID 162440611
6-(4-bromophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909722
6-(4-bromophenyl)-5-isocyano-1,2,4-triazine;[6-(4-bromophenyl)-1,2,4-triazin-5-yl]hydrazine;deuterio(fluoro)methane;hydrazine
CID 159060859
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile
CID 20567070
6-[3,6-diamino-5-(4-carboxyphenyl)pyrazin-2-yl]-1,2,4-triazine-5-carboxylic acid
CID 118591965

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(4-bromophenyl)-1,2,4-triazin-5-amine (CID 116822965) is 6-(4-bromophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(4-bromophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(4-bromophenyl)-1,2,4-triazin-5-amine is Nc1ncnnc1-c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-1,2,4-triazin-5-amine?
The InChIKey is PHPWEOGLTWTNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4/c10-7-3-1-6(2-4-7)8-9(11)12-5-13-14-8/h1-5H,(H2,11,12,13).
What are the key properties of 6-(4-bromophenyl)-1,2,4-triazin-5-amine?
6-(4-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 6-(4-bromophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116822965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).