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

C17H18N4O — CID 82370481

IUPAC5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
SMILESCOc1ccc(-c2nnn(-c3ccccc3C)c2N)cc1C
InChIInChI=1S/C17H18N4O/c1-11-6-4-5-7-14(11)21-17(18)16(19-20-21)13-8-9-15(22-3)12(2)10-13/h4-10H,18H2,1-3H3
InChIKeyDNXSFZPIGIRHRF-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.14
Rot. Bonds3

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

5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine (PubChem CID 82370481) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
PubChem CID82370481
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
SMILESCOc1ccc(-c2nnn(-c3ccccc3C)c2N)cc1C
InChIInChI=1S/C17H18N4O/c1-11-6-4-5-7-14(11)21-17(18)16(19-20-21)13-8-9-15(22-3)12(2)10-13/h4-10H,18H2,1-3H3
InChIKeyDNXSFZPIGIRHRF-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

2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
CID 82370610
5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
CID 82370480
2-[5-amino-4-(3,4-dimethylphenyl)triazol-1-yl]benzonitrile
CID 82370409
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82370611
2-(4-methoxy-3-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63618111
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370825
5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 2053193
[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072345
3-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3589046
5-(2,5-difluorophenyl)-3-(2-methoxyphenyl)triazol-4-amine
CID 82370673
4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-amine
CID 62132077
6-bromo-2-(4-methoxy-3-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 79041465

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine (CID 82370481) is 5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine is COc1ccc(-c2nnn(-c3ccccc3C)c2N)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine?
The InChIKey is DNXSFZPIGIRHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-6-4-5-7-14(11)21-17(18)16(19-20-21)13-8-9-15(22-3)12(2)10-13/h4-10H,18H2,1-3H3.
What are the key properties of 5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine?
5-(4-methoxy-3-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-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine is sourced from PubChem (CID 82370481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).