N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine

C15H22N6 — CID 23275680

IUPACN-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine
SMILESCc1ccc(C)n1Nc1ccc(N2CCN(C)CC2)nn1
InChIInChI=1S/C15H22N6/c1-12-4-5-13(2)21(12)18-14-6-7-15(17-16-14)20-10-8-19(3)9-11-20/h4-7H,8-11H2,1-3H3,(H,16,18)
InChIKeyGMXHWRJGGGQZQA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.52
Rot. Bonds3

About N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine

N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine (PubChem CID 23275680) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine
PubChem CID23275680
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine
SMILESCc1ccc(C)n1Nc1ccc(N2CCN(C)CC2)nn1
InChIInChI=1S/C15H22N6/c1-12-4-5-13(2)21(12)18-14-6-7-15(17-16-14)20-10-8-19(3)9-11-20/h4-7H,8-11H2,1-3H3,(H,16,18)
InChIKeyGMXHWRJGGGQZQA-UHFFFAOYSA-N
XLogP1.52
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine (CID 23275680) is N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine is Cc1ccc(C)n1Nc1ccc(N2CCN(C)CC2)nn1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine?
The InChIKey is GMXHWRJGGGQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-4-5-13(2)21(12)18-14-6-7-15(17-16-14)20-10-8-19(3)9-11-20/h4-7H,8-11H2,1-3H3,(H,16,18).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine?
N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-6-(4-methylpiperazin-1-yl)pyridazin-3-amine is sourced from PubChem (CID 23275680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).