[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine

C10H11BrN4 — CID 104508877

IUPAC[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine
SMILESCc1cc(Br)ccc1-n1ncc(CN)n1
InChIInChI=1S/C10H11BrN4/c1-7-4-8(11)2-3-10(7)15-13-6-9(5-12)14-15/h2-4,6H,5,12H2,1H3
InChIKeyNPMRBCNPAAVONP-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.80
Rot. Bonds2

About [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine

[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine (PubChem CID 104508877) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine
PubChem CID104508877
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine
SMILESCc1cc(Br)ccc1-n1ncc(CN)n1
InChIInChI=1S/C10H11BrN4/c1-7-4-8(11)2-3-10(7)15-13-6-9(5-12)14-15/h2-4,6H,5,12H2,1H3
InChIKeyNPMRBCNPAAVONP-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylphenyl)triazol-4-amine
CID 104509118
2-(4-bromo-2-methylphenyl)triazole-4-carboxylic acid
CID 82489411
[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82307236
2-(2,4-dimethylphenyl)triazol-4-amine
CID 116799236
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
CID 82091925
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
ethyl 1-(4-bromo-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 81286998
1-(4-bromo-2-methylphenyl)-4-(chloromethyl)triazole
CID 81288012
1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
1-(4-bromo-2-methylphenyl)-3-N-ethyl-1,2,4-triazole-3,5-diamine
CID 113420709

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine (CID 104508877) is [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine is Cc1cc(Br)ccc1-n1ncc(CN)n1.
What is the InChIKey of [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is NPMRBCNPAAVONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-7-4-8(11)2-3-10(7)15-13-6-9(5-12)14-15/h2-4,6H,5,12H2,1H3.
What are the key properties of [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine?
[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 104508877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).