2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine

C10H11BrN4O — CID 104508476

IUPAC2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C10H11BrN4O/c1-6-5-7(11)3-4-8(6)15-9(12)13-10(14-15)16-2/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyIBLHZERENIVBCI-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.93
Rot. Bonds2

About 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine

2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine (PubChem CID 104508476) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine
PubChem CID104508476
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C10H11BrN4O/c1-6-5-7(11)3-4-8(6)15-9(12)13-10(14-15)16-2/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyIBLHZERENIVBCI-UHFFFAOYSA-N
XLogP1.93
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-N-ethyl-1,2,4-triazole-3,5-diamine
CID 113420709
2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 104508479
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
CID 82091925
5-methoxy-2-phenyl-1,2,4-triazol-3-amine
CID 79873453
2-(4-bromo-2-methylphenyl)triazol-4-amine
CID 104509118
1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
5-methoxy-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 81247322
1-(4-bromo-2-methylphenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826426
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106
[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82307236
3-[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]-4-methylaniline
CID 61353886
2-[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]aniline
CID 61352421

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine (CID 104508476) is 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine is COc1nc(N)n(-c2ccc(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine?
The InChIKey is IBLHZERENIVBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-6-5-7(11)3-4-8(6)15-9(12)13-10(14-15)16-2/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine?
2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine has a molecular weight of 283.13 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine is sourced from PubChem (CID 104508476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).