[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

C21H23N5O — CID 51174933

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)c1C
InChIInChI=1S/C21H23N5O/c1-16-7-6-10-20(17(16)2)24-11-13-25(14-12-24)21(27)19-15-22-26(23-19)18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3
InChIKeyUUBDJAKYHQQUHV-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.85
Rot. Bonds3

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 51174933) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID51174933
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)c1C
InChIInChI=1S/C21H23N5O/c1-16-7-6-10-20(17(16)2)24-11-13-25(14-12-24)21(27)19-15-22-26(23-19)18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3
InChIKeyUUBDJAKYHQQUHV-UHFFFAOYSA-N
XLogP2.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122341014
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122334029
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273559
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 110854409
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 42055114

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 51174933) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is UUBDJAKYHQQUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-7-6-10-20(17(16)2)24-11-13-25(14-12-24)21(27)19-15-22-26(23-19)18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 51174933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).