3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine

C15H15N5O — CID 82370825

IUPAC3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
SMILESCOc1ccc(C)cc1-n1nnc(-c2ccncc2)c1N
InChIInChI=1S/C15H15N5O/c1-10-3-4-13(21-2)12(9-10)20-15(16)14(18-19-20)11-5-7-17-8-6-11/h3-9H,16H2,1-2H3
InChIKeyMBWLPAHUKGJFII-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds3

About 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine

3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine (PubChem CID 82370825) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
PubChem CID82370825
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
SMILESCOc1ccc(C)cc1-n1nnc(-c2ccncc2)c1N
InChIInChI=1S/C15H15N5O/c1-10-3-4-13(21-2)12(9-10)20-15(16)14(18-19-20)11-5-7-17-8-6-11/h3-9H,16H2,1-2H3
InChIKeyMBWLPAHUKGJFII-UHFFFAOYSA-N
XLogP2.23
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol
CID 82370532
5-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
CID 82370480
5-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)triazol-4-amine
CID 82370481
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
CID 82370610
3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370185
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
CID 7245378
2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol
CID 82370639
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
CID 8897883

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine (CID 82370825) is 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine is COc1ccc(C)cc1-n1nnc(-c2ccncc2)c1N.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine?
The InChIKey is MBWLPAHUKGJFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-3-4-13(21-2)12(9-10)20-15(16)14(18-19-20)11-5-7-17-8-6-11/h3-9H,16H2,1-2H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine?
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine has a molecular weight of 281.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine is sourced from PubChem (CID 82370825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).