5-(3-methoxyphenyl)-3-phenyltriazol-4-amine

C15H14N4O — CID 14612161

IUPAC5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
SMILESCOc1cccc(-c2nnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C15H14N4O/c1-20-13-9-5-6-11(10-13)14-15(16)19(18-17-14)12-7-3-2-4-8-12/h2-10H,16H2,1H3
InChIKeyUFFJVZNPYRPMJM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds3

About 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine

5-(3-methoxyphenyl)-3-phenyltriazol-4-amine (PubChem CID 14612161) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
PubChem CID14612161
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
SMILESCOc1cccc(-c2nnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C15H14N4O/c1-20-13-9-5-6-11(10-13)14-15(16)19(18-17-14)12-7-3-2-4-8-12/h2-10H,16H2,1H3
InChIKeyUFFJVZNPYRPMJM-UHFFFAOYSA-N
XLogP2.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
CID 82370111
3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine
CID 82370290
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
3-(3-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370249
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
4-(3-methoxyphenyl)-6-methylsulfanyl-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807540
3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490703
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 2053193
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine?
The IUPAC name of 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine (CID 14612161) is 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine is COc1cccc(-c2nnn(-c3ccccc3)c2N)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine?
The InChIKey is UFFJVZNPYRPMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-13-9-5-6-11(10-13)14-15(16)19(18-17-14)12-7-3-2-4-8-12/h2-10H,16H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine?
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine has a molecular weight of 266.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-phenyltriazol-4-amine is sourced from PubChem (CID 14612161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).