(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone

C22H25N5O — CID 120569446

IUPAC(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCNC(C)C2C)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N5O/c1-15-16(2)26(14-13-23-15)22(28)21-17(3)27(25-24-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,15-16,23H,13-14H2,1-3H3
InChIKeyMFYSJFHVHGEQDQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.07
Rot. Bonds3

About (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone

(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone (PubChem CID 120569446) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
PubChem CID120569446
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCNC(C)C2C)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N5O/c1-15-16(2)26(14-13-23-15)22(28)21-17(3)27(25-24-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,15-16,23H,13-14H2,1-3H3
InChIKeyMFYSJFHVHGEQDQ-UHFFFAOYSA-N
XLogP3.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125152338
1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850
(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 120569390
(2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120569634
5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
CID 119388737
(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone;hydrochloride
CID 120571447
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 119491525
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 124691205
(3R,6S)-6-methyl-1-(5-methyl-1-phenyltriazole-4-carbonyl)piperidine-3-carboxamide
CID 95584926
(2R,3R)-2-methyl-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116374
[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472670

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone (CID 120569446) is (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone is Cc1c(C(=O)N2CCNC(C)C2C)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone?
The InChIKey is MFYSJFHVHGEQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-16(2)26(14-13-23-15)22(28)21-17(3)27(25-24-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,15-16,23H,13-14H2,1-3H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone?
(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone has a molecular weight of 375.48 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 120569446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).