(2,5-diphenyltriazol-4-yl)-phenylmethanone

C21H15N3O — CID 13297593

IUPAC(2,5-diphenyltriazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22-24(23-20)18-14-8-3-9-15-18/h1-15H
InChIKeyWKVSCWZXWYDTLC-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.17
Rot. Bonds4

About (2,5-diphenyltriazol-4-yl)-phenylmethanone

(2,5-diphenyltriazol-4-yl)-phenylmethanone (PubChem CID 13297593) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is (2,5-diphenyltriazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,5-diphenyltriazol-4-yl)-phenylmethanone
PubChem CID13297593
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name(2,5-diphenyltriazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22-24(23-20)18-14-8-3-9-15-18/h1-15H
InChIKeyWKVSCWZXWYDTLC-UHFFFAOYSA-N
XLogP4.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-phenyltriazol-4-yl)-phenylmethanone
CID 174808968
N-(4-chlorophenyl)-2,5-diphenyltriazole-4-carboxamide
CID 134912462
phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
CID 59163086
N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide
CID 101126712
phenyl-(2-phenylbenzotriazol-4-yl)methanone
CID 122215925
ethyl 5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxylate
CID 59645334
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 171985656
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492

Frequently Asked Questions

What is the IUPAC name of (2,5-diphenyltriazol-4-yl)-phenylmethanone?
The IUPAC name of (2,5-diphenyltriazol-4-yl)-phenylmethanone (CID 13297593) is (2,5-diphenyltriazol-4-yl)-phenylmethanone.
What is the SMILES notation for (2,5-diphenyltriazol-4-yl)-phenylmethanone?
The canonical SMILES for (2,5-diphenyltriazol-4-yl)-phenylmethanone is O=C(c1ccccc1)c1nn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (2,5-diphenyltriazol-4-yl)-phenylmethanone?
The InChIKey is WKVSCWZXWYDTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22-24(23-20)18-14-8-3-9-15-18/h1-15H.
What are the key properties of (2,5-diphenyltriazol-4-yl)-phenylmethanone?
(2,5-diphenyltriazol-4-yl)-phenylmethanone has a molecular weight of 325.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diphenyltriazol-4-yl)-phenylmethanone is sourced from PubChem (CID 13297593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).