4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one

C15H13N3O2 — CID 101148539

IUPAC4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
SMILESCOc1ccc(-n2cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C15H13N3O2/c1-20-14-9-7-12(8-10-14)17-11-16-18(15(17)19)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyIMIZIWNCMIGLKV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.03
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one

4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one (PubChem CID 101148539) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
PubChem CID101148539
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
SMILESCOc1ccc(-n2cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C15H13N3O2/c1-20-14-9-7-12(8-10-14)17-11-16-18(15(17)19)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyIMIZIWNCMIGLKV-UHFFFAOYSA-N
XLogP2.03
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-4-[6-[1-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]hexyl]-1,2,4-triazol-3-one
CID 155809416
2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 68573802
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
2-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-one
CID 3079200
6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
CID 824695
1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069
3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one
CID 101073862
2-ethyl-4-phenyl-1,2,4-triazol-3-one
CID 155061620
6-methoxy-2-phenylpyridazin-3-one
CID 6456935
1-(4-methoxyphenyl)-4-methyltetrazol-5-one
CID 139194376
[(3S)-3-[4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]butan-2-yl] benzoate
CID 59910893
4-[(5-oxo-1-phenyl-1,2,4-triazol-4-yl)methyl]-2-phenyl-1,2,4-triazol-3-one
CID 155806253

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one (CID 101148539) is 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one is COc1ccc(-n2cnn(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one?
The InChIKey is IMIZIWNCMIGLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-9-7-12(8-10-14)17-11-16-18(15(17)19)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one?
4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one has a molecular weight of 267.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 101148539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).