N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine

C14H20N6 — CID 23275383

IUPACN-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine
SMILESCc1ccc(C)n1Nc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C14H20N6/c1-11-3-4-12(2)20(11)18-13-5-6-14(17-16-13)19-9-7-15-8-10-19/h3-6,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyZYFCZUSKLFYYCV-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.18
Rot. Bonds3

About N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine

N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine (PubChem CID 23275383) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine
PubChem CID23275383
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine
SMILESCc1ccc(C)n1Nc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C14H20N6/c1-11-3-4-12(2)20(11)18-13-5-6-14(17-16-13)19-9-7-15-8-10-19/h3-6,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyZYFCZUSKLFYYCV-UHFFFAOYSA-N
XLogP1.18
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine (CID 23275383) is N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine is Cc1ccc(C)n1Nc1ccc(N2CCNCC2)nn1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine?
The InChIKey is ZYFCZUSKLFYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-3-4-12(2)20(11)18-13-5-6-14(17-16-13)19-9-7-15-8-10-19/h3-6,15H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine?
N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine has a molecular weight of 272.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-6-piperazin-1-ylpyridazin-3-amine is sourced from PubChem (CID 23275383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).