(4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone

C17H12N6O — CID 91155285

IUPAC(4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone
SMILESO=C(n1ccnn1)n1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H12N6O/c24-17(22-12-11-18-20-22)23-16(14-9-5-2-6-10-14)15(19-21-23)13-7-3-1-4-8-13/h1-12H
InChIKeyKZJGXWQCFHJPES-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.72
Rot. Bonds2

About (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone

(4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone (PubChem CID 91155285) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone.

Molecular Properties

Compound Name(4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone
PubChem CID91155285
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Name(4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone
SMILESO=C(n1ccnn1)n1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H12N6O/c24-17(22-12-11-18-20-22)23-16(14-9-5-2-6-10-14)15(19-21-23)13-7-3-1-4-8-13/h1-12H
InChIKeyKZJGXWQCFHJPES-UHFFFAOYSA-N
XLogP2.72
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone
CID 91204155
(5-benzyl-4-propan-2-yltriazol-1-yl)-(triazol-1-yl)methanone
CID 91052531
(4-fluoro-5-propan-2-yltriazol-1-yl)-(triazol-1-yl)methanone
CID 90939039
(4,5-diphenyltriazol-1-yl)methanol
CID 174976406
(4,5-ditert-butyltriazol-1-yl)-(triazol-1-yl)methanone
CID 91031356
4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide
CID 10133916
8-(4,5-diphenyltriazol-1-yl)octanoic acid
CID 22916407
2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
CID 59363214
4-(4-fluorophenyl)-5-pyridin-4-yltriazole-1-carbonyl chloride
CID 22726014
[4,5-bis(2-methylpropyl)triazol-1-yl]-(triazol-1-yl)methanone
CID 90997707
[5-chloro-4-(2-methylpropyl)triazol-1-yl]-(triazol-1-yl)methanone
CID 91594442
N-benzyl-N-methyltriazole-1-carboxamide
CID 151801601

Frequently Asked Questions

What is the IUPAC name of (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone?
The IUPAC name of (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone (CID 91155285) is (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone.
What is the SMILES notation for (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone?
The canonical SMILES for (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone is O=C(n1ccnn1)n1nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone?
The InChIKey is KZJGXWQCFHJPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c24-17(22-12-11-18-20-22)23-16(14-9-5-2-6-10-14)15(19-21-23)13-7-3-1-4-8-13/h1-12H.
What are the key properties of (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone?
(4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone has a molecular weight of 316.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone is sourced from PubChem (CID 91155285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).