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

C15H21N5 — CID 23275379

IUPACN-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine
SMILESCc1ccc(C)n1Nc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C15H21N5/c1-12-6-7-13(2)20(12)18-14-8-9-15(17-16-14)19-10-4-3-5-11-19/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKeyOKISCGTWKGLPQX-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.76
Rot. Bonds3

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

N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine (PubChem CID 23275379) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine
PubChem CID23275379
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine
SMILESCc1ccc(C)n1Nc1ccc(N2CCCCC2)nn1
InChIInChI=1S/C15H21N5/c1-12-6-7-13(2)20(12)18-14-8-9-15(17-16-14)19-10-4-3-5-11-19/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKeyOKISCGTWKGLPQX-UHFFFAOYSA-N
XLogP2.76
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine (CID 23275379) is N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine is Cc1ccc(C)n1Nc1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine?
The InChIKey is OKISCGTWKGLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-6-7-13(2)20(12)18-14-8-9-15(17-16-14)19-10-4-3-5-11-19/h6-9H,3-5,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine?
N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine has a molecular weight of 271.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-6-piperidin-1-ylpyridazin-3-amine is sourced from PubChem (CID 23275379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).