4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine

C17H23N5 — CID 59867380

IUPAC4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCNCC1
InChIInChI=1S/C17H23N5/c1-14-13-16(15-5-3-2-4-6-15)20-21-17(14)19-9-12-22-10-7-18-8-11-22/h2-6,13,18H,7-12H2,1H3,(H,19,21)
InChIKeyDSULVDIIXDFKIC-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.77
Rot. Bonds5

About 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine

4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine (PubChem CID 59867380) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
PubChem CID59867380
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCNCC1
InChIInChI=1S/C17H23N5/c1-14-13-16(15-5-3-2-4-6-15)20-21-17(14)19-9-12-22-10-7-18-8-11-22/h2-6,13,18H,7-12H2,1H3,(H,19,21)
InChIKeyDSULVDIIXDFKIC-UHFFFAOYSA-N
XLogP1.77
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
CID 6410830
N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
CID 6410802
3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride
CID 45262908
4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride
CID 6410843
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
CID 15678720
5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid
CID 163317260
1-[2-(4-phenylimidazol-1-yl)ethyl]piperazine
CID 82514024
1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine
CID 82514067
4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine
CID 13218685
5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 114045681
1-N,4-N-bis[2-(aziridin-1-yl)ethyl]benzo[g]phthalazine-1,4-diamine
CID 19811426
4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
CID 60659900

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine?
The IUPAC name of 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine (CID 59867380) is 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine.
What is the SMILES notation for 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine?
The canonical SMILES for 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine is Cc1cc(-c2ccccc2)nnc1NCCN1CCNCC1.
What is the InChIKey of 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine?
The InChIKey is DSULVDIIXDFKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-13-16(15-5-3-2-4-6-15)20-21-17(14)19-9-12-22-10-7-18-8-11-22/h2-6,13,18H,7-12H2,1H3,(H,19,21).
What are the key properties of 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine?
4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine has a molecular weight of 297.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine is sourced from PubChem (CID 59867380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).