5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine

C17H18N4O — CID 82370480

IUPAC5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
SMILESCOc1ccc(C)cc1-c1nnn(-c2ccccc2C)c1N
InChIInChI=1S/C17H18N4O/c1-11-8-9-15(22-3)13(10-11)16-17(18)21(20-19-16)14-7-5-4-6-12(14)2/h4-10H,18H2,1-3H3
InChIKeyQJBDSQWKQZJZDL-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.14
Rot. Bonds3

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

5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine (PubChem CID 82370480) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
PubChem CID82370480
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
SMILESCOc1ccc(C)cc1-c1nnn(-c2ccccc2C)c1N
InChIInChI=1S/C17H18N4O/c1-11-8-9-15(22-3)13(10-11)16-17(18)21(20-19-16)14-7-5-4-6-12(14)2/h4-10H,18H2,1-3H3
InChIKeyQJBDSQWKQZJZDL-UHFFFAOYSA-N
XLogP3.14
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
CID 82370481
2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
CID 82370610
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370825
5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine
CID 82370673
2-[5-amino-4-(2-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370417
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
CID 82391060
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol
CID 82370532
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62504567
[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072345

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine (CID 82370480) is 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine is COc1ccc(C)cc1-c1nnn(-c2ccccc2C)c1N.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine?
The InChIKey is QJBDSQWKQZJZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-8-9-15(22-3)13(10-11)16-17(18)21(20-19-16)14-7-5-4-6-12(14)2/h4-10H,18H2,1-3H3.
What are the key properties of 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine?
5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine has a molecular weight of 294.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine is sourced from PubChem (CID 82370480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).