[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine

C10H11BrN4 — CID 82487227

IUPAC[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1nc(CN)nc1-c1ccccc1Br
InChIInChI=1S/C10H11BrN4/c1-15-10(13-9(6-12)14-15)7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3
InChIKeyZECCVOCOSRDANN-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.70
Rot. Bonds2

About [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine

[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82487227) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82487227
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1nc(CN)nc1-c1ccccc1Br
InChIInChI=1S/C10H11BrN4/c1-15-10(13-9(6-12)14-15)7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3
InChIKeyZECCVOCOSRDANN-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
2-bromo-6-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]aniline
CID 63113377
[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82473301
2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489387
3-[(2-bromophenyl)methyl]-1,5-dimethyl-1,2,4-triazole
CID 82486920
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
CID 84711190
4-bromo-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62722487
3-(2-bromophenyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 163257068
3-(3-ethoxybut-3-enyl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazole
CID 170091543

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine (CID 82487227) is [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine is Cn1nc(CN)nc1-c1ccccc1Br.
What is the InChIKey of [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is ZECCVOCOSRDANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-15-10(13-9(6-12)14-15)7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3.
What are the key properties of [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82487227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).