2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

C18H26N6O — CID 71925501

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)N3CCN(C)CC3)cc2)n[nH]1
InChIInChI=1S/C18H26N6O/c1-13-19-16(22-21-13)14-5-7-15(8-6-14)20-17(25)18(2,3)24-11-9-23(4)10-12-24/h5-8H,9-12H2,1-4H3,(H,20,25)(H,19,21,22)
InChIKeyNXZDUYQYKRNEOS-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 71925501) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID71925501
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)N3CCN(C)CC3)cc2)n[nH]1
InChIInChI=1S/C18H26N6O/c1-13-19-16(22-21-13)14-5-7-15(8-6-14)20-17(25)18(2,3)24-11-9-23(4)10-12-24/h5-8H,9-12H2,1-4H3,(H,20,25)(H,19,21,22)
InChIKeyNXZDUYQYKRNEOS-UHFFFAOYSA-N
XLogP1.74
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide 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-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (CID 71925501) is 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is Cc1nc(-c2ccc(NC(=O)C(C)(C)N3CCN(C)CC3)cc2)n[nH]1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is NXZDUYQYKRNEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-19-16(22-21-13)14-5-7-15(8-6-14)20-17(25)18(2,3)24-11-9-23(4)10-12-24/h5-8H,9-12H2,1-4H3,(H,20,25)(H,19,21,22).
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 342.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 71925501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).