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

C15H14N4O — CID 14612169

IUPAC3-(4-methoxyphenyl)-5-phenyltriazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3ccccc3)c2N)cc1
InChIInChI=1S/C15H14N4O/c1-20-13-9-7-12(8-10-13)19-15(16)14(17-18-19)11-5-3-2-4-6-11/h2-10H,16H2,1H3
InChIKeyCDSBFQALDZZECV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds3

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

3-(4-methoxyphenyl)-5-phenyltriazol-4-amine (PubChem CID 14612169) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenyltriazol-4-amine
PubChem CID14612169
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(4-methoxyphenyl)-5-phenyltriazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3ccccc3)c2N)cc1
InChIInChI=1S/C15H14N4O/c1-20-13-9-7-12(8-10-13)19-15(16)14(17-18-19)11-5-3-2-4-6-11/h2-10H,16H2,1H3
InChIKeyCDSBFQALDZZECV-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine (CID 14612169) is 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine is COc1ccc(-n2nnc(-c3ccccc3)c2N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine?
The InChIKey is CDSBFQALDZZECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-13-9-7-12(8-10-13)19-15(16)14(17-18-19)11-5-3-2-4-6-11/h2-10H,16H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine?
3-(4-methoxyphenyl)-5-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 3-(4-methoxyphenyl)-5-phenyltriazol-4-amine is sourced from PubChem (CID 14612169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).