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

C10H12N4O — CID 35754869

IUPAC5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine
SMILESCOc1ccc(-c2nnc(N)n2C)cc1
InChIInChI=1S/C10H12N4O/c1-14-9(12-13-10(14)11)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H2,11,13)
InChIKeyZESJHFRLUPQMQT-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds2

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

5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine (PubChem CID 35754869) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine
PubChem CID35754869
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine
SMILESCOc1ccc(-c2nnc(N)n2C)cc1
InChIInChI=1S/C10H12N4O/c1-14-9(12-13-10(14)11)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H2,11,13)
InChIKeyZESJHFRLUPQMQT-UHFFFAOYSA-N
XLogP1.07
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-amine
CID 35754866
5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83888228
2-[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82128879
8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
5-(4-methoxyphenyl)-3-methyltriazol-4-amine
CID 83638320
3-[2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine
CID 139224320
3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 7897450
3-(4-methoxyphenyl)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole
CID 7435586
(2R)-1-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7812858
5-(6-methoxynaphthalen-2-yl)-2,3-dimethylimidazol-4-amine
CID 62226138
4-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353201

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine (CID 35754869) is 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine is COc1ccc(-c2nnc(N)n2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is ZESJHFRLUPQMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-9(12-13-10(14)11)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H2,11,13).
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine?
5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 204.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 35754869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).