[4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine

C15H21N5 — CID 80506485

IUPAC[4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine
SMILESCc1nc2ccccc2nc1N1CCN(C)CC1CN
InChIInChI=1S/C15H21N5/c1-11-15(18-14-6-4-3-5-13(14)17-11)20-8-7-19(2)10-12(20)9-16/h3-6,12H,7-10,16H2,1-2H3
InChIKeyBPISIKZRWXDEFC-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.02
Rot. Bonds2

About [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine

[4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine (PubChem CID 80506485) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine
PubChem CID80506485
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name[4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine
SMILESCc1nc2ccccc2nc1N1CCN(C)CC1CN
InChIInChI=1S/C15H21N5/c1-11-15(18-14-6-4-3-5-13(14)17-11)20-8-7-19(2)10-12(20)9-16/h3-6,12H,7-10,16H2,1-2H3
InChIKeyBPISIKZRWXDEFC-UHFFFAOYSA-N
XLogP1.02
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine 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 [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine (CID 80506485) is [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine is Cc1nc2ccccc2nc1N1CCN(C)CC1CN.
What is the InChIKey of [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine?
The InChIKey is BPISIKZRWXDEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-15(18-14-6-4-3-5-13(14)17-11)20-8-7-19(2)10-12(20)9-16/h3-6,12H,7-10,16H2,1-2H3.
What are the key properties of [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine?
[4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine has a molecular weight of 271.37 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylquinoxalin-2-yl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80506485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).