5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine

C9H8Br2N4 — CID 107971918

IUPAC5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cc(Br)cc(Br)c2)nc1N
InChIInChI=1S/C9H8Br2N4/c1-15-9(12)13-8(14-15)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H2,12,13,14)
InChIKeyJMNYWZSSGIOREQ-UHFFFAOYSA-N
MW332.00 g/mol
LogP2.59
Rot. Bonds1

About 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine

5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 107971918) has the molecular formula C9H8Br2N4 and a molecular weight of 332.00 g/mol. Its IUPAC name is 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID107971918
Molecular FormulaC9H8Br2N4
Molecular Weight332.00 g/mol
Exact Mass329.91
IUPAC Name5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cc(Br)cc(Br)c2)nc1N
InChIInChI=1S/C9H8Br2N4/c1-15-9(12)13-8(14-15)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H2,12,13,14)
InChIKeyJMNYWZSSGIOREQ-UHFFFAOYSA-N
XLogP2.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromo-5-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine
CID 107938618
5-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyridin-3-ol
CID 104605415
5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605127
5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 106860891
3-bromo-5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 114287363
[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487224
3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117474567
3-(3-bromo-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 104853069
3-(3-bromo-5-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 25003320
5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114088248
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,2,4-triazol-3-amine
CID 103309486
3-(4-bromophenyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 82489304

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine (CID 107971918) is 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(-c2cc(Br)cc(Br)c2)nc1N.
What is the InChIKey of 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is JMNYWZSSGIOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N4/c1-15-9(12)13-8(14-15)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H2,12,13,14).
What are the key properties of 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine?
5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 332.00 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 107971918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).