2-(2,4-dimethylphenyl)triazol-4-amine

C10H12N4 — CID 116799236

IUPAC2-(2,4-dimethylphenyl)triazol-4-amine
SMILESCc1ccc(-n2ncc(N)n2)c(C)c1
InChIInChI=1S/C10H12N4/c1-7-3-4-9(8(2)5-7)14-12-6-10(11)13-14/h3-6H,1-2H3,(H2,11,13)
InChIKeyNJYVSZLMUZAWTP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.47
Rot. Bonds1

About 2-(2,4-dimethylphenyl)triazol-4-amine

2-(2,4-dimethylphenyl)triazol-4-amine (PubChem CID 116799236) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)triazol-4-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)triazol-4-amine
PubChem CID116799236
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(2,4-dimethylphenyl)triazol-4-amine
SMILESCc1ccc(-n2ncc(N)n2)c(C)c1
InChIInChI=1S/C10H12N4/c1-7-3-4-9(8(2)5-7)14-12-6-10(11)13-14/h3-6H,1-2H3,(H2,11,13)
InChIKeyNJYVSZLMUZAWTP-UHFFFAOYSA-N
XLogP1.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylphenyl)triazol-4-amine
CID 104509118
1-(2,4-dimethylphenyl)-5-methylpyrazol-4-amine
CID 60865980
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
[2-(4-bromo-2-methylphenyl)triazol-4-yl]methanamine
CID 104508877
2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid
CID 82285364
1-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 126666484
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
CID 43381602
2-(3-methoxyphenyl)triazol-4-amine
CID 82404083
2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-amine
CID 83240723
4-methyl-2-(1,2,4-triazol-4-yl)aniline
CID 82411401
2-(4-bromo-2-methylphenyl)triazole-4-carboxylic acid
CID 82489411

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)triazol-4-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)triazol-4-amine (CID 116799236) is 2-(2,4-dimethylphenyl)triazol-4-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)triazol-4-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)triazol-4-amine is Cc1ccc(-n2ncc(N)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)triazol-4-amine?
The InChIKey is NJYVSZLMUZAWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-3-4-9(8(2)5-7)14-12-6-10(11)13-14/h3-6H,1-2H3,(H2,11,13).
What are the key properties of 2-(2,4-dimethylphenyl)triazol-4-amine?
2-(2,4-dimethylphenyl)triazol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)triazol-4-amine is sourced from PubChem (CID 116799236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).