(2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone

C15H19N5O — CID 86688260

IUPAC(2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O/c1-15(2)10-16-8-9-19(15)14(21)13-17-11-20(18-13)12-6-4-3-5-7-12/h3-7,11,16H,8-10H2,1-2H3
InChIKeyGMMXZGLPKYRYPQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.09
Rot. Bonds2

About (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone

(2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone (PubChem CID 86688260) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone
PubChem CID86688260
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O/c1-15(2)10-16-8-9-19(15)14(21)13-17-11-20(18-13)12-6-4-3-5-7-12/h3-7,11,16H,8-10H2,1-2H3
InChIKeyGMMXZGLPKYRYPQ-UHFFFAOYSA-N
XLogP1.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-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

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone (CID 86688260) is (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone is CC1(C)CNCCN1C(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is GMMXZGLPKYRYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(2)10-16-8-9-19(15)14(21)13-17-11-20(18-13)12-6-4-3-5-7-12/h3-7,11,16H,8-10H2,1-2H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone?
(2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(1-phenyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 86688260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).