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

C10H9BrN4 — CID 116823963

IUPAC3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN4/c1-12-9-6-13-15-10(14-9)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,14,15)
InChIKeyKLAYEWDKDWPXTE-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.34
Rot. Bonds2

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

3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823963) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823963
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN4/c1-12-9-6-13-15-10(14-9)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,14,15)
InChIKeyKLAYEWDKDWPXTE-UHFFFAOYSA-N
XLogP2.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(3-bromophenyl)-1,2,4-triazin-5-amine
CID 83547754
2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 55193463
3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823856
1-[2-(3-bromophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62755501
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
2-(3-bromophenyl)pyrimidine
CID 26967381
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
2-(3-bromophenyl)-6-tert-butyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298821
1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine
CID 178154945
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302370
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine (CID 116823963) is 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine is CNc1cnnc(-c2cccc(Br)c2)n1.
What is the InChIKey of 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is KLAYEWDKDWPXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c1-12-9-6-13-15-10(14-9)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,14,15).
What are the key properties of 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine?
3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 265.11 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).