1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine

C19H24N6 — CID 133435886

IUPAC1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine
SMILESCc1nccn1-c1cncc(NC(C)CN(C)Cc2ccccc2)n1
InChIInChI=1S/C19H24N6/c1-15(13-24(3)14-17-7-5-4-6-8-17)22-18-11-20-12-19(23-18)25-10-9-21-16(25)2/h4-12,15H,13-14H2,1-3H3,(H,22,23)
InChIKeyZVGJBPDBZFSNIM-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.90
Rot. Bonds7

About 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine

1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine (PubChem CID 133435886) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine
PubChem CID133435886
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine
SMILESCc1nccn1-c1cncc(NC(C)CN(C)Cc2ccccc2)n1
InChIInChI=1S/C19H24N6/c1-15(13-24(3)14-17-7-5-4-6-8-17)22-18-11-20-12-19(23-18)25-10-9-21-16(25)2/h4-12,15H,13-14H2,1-3H3,(H,22,23)
InChIKeyZVGJBPDBZFSNIM-UHFFFAOYSA-N
XLogP2.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine 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 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine?
The IUPAC name of 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine (CID 133435886) is 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine is Cc1nccn1-c1cncc(NC(C)CN(C)Cc2ccccc2)n1.
What is the InChIKey of 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine?
The InChIKey is ZVGJBPDBZFSNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-15(13-24(3)14-17-7-5-4-6-8-17)22-18-11-20-12-19(23-18)25-10-9-21-16(25)2/h4-12,15H,13-14H2,1-3H3,(H,22,23).
What are the key properties of 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine?
1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine has a molecular weight of 336.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 133435886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).