3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole

C15H15N3O — CID 142678376

IUPAC3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole
SMILESCOc1cccc(C2=NNCN2c2ccccc2)c1
InChIInChI=1S/C15H15N3O/c1-19-14-9-5-6-12(10-14)15-17-16-11-18(15)13-7-3-2-4-8-13/h2-10,16H,11H2,1H3
InChIKeyLUBWUOONBFHTOX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.42
Rot. Bonds3

About 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole

3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole (PubChem CID 142678376) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole
PubChem CID142678376
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole
SMILESCOc1cccc(C2=NNCN2c2ccccc2)c1
InChIInChI=1S/C15H15N3O/c1-19-14-9-5-6-12(10-14)15-17-16-11-18(15)13-7-3-2-4-8-13/h2-10,16H,11H2,1H3
InChIKeyLUBWUOONBFHTOX-UHFFFAOYSA-N
XLogP2.42
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-5-methoxyphenyl)methyl]-4-phenyl-1,5-dihydro-1,2,4-triazole
CID 142678452
4-(3-methoxyphenyl)-3-tridecyl-1,5-dihydro-1,2,4-triazole
CID 54453976
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
4-cyclopropyl-3-(3-methoxyphenyl)-1,5-dihydro-1,2,4-triazole-5-carbaldehyde
CID 174587076
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole (CID 142678376) is 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole is COc1cccc(C2=NNCN2c2ccccc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is LUBWUOONBFHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-14-9-5-6-12(10-14)15-17-16-11-18(15)13-7-3-2-4-8-13/h2-10,16H,11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole?
3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 253.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4-phenyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 142678376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).