2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one

C17H23N5O — CID 14726359

IUPAC2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one
SMILESCn1ncc(NCCN2CCN(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C17H23N5O/c1-20-17(23)13-15(14-19-20)18-7-8-21-9-11-22(12-10-21)16-5-3-2-4-6-16/h2-6,13-14,18H,7-12H2,1H3
InChIKeyUEWIRHGJJJOUIF-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.01
Rot. Bonds5

About 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one

2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one (PubChem CID 14726359) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one
PubChem CID14726359
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one
SMILESCn1ncc(NCCN2CCN(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C17H23N5O/c1-20-17(23)13-15(14-19-20)18-7-8-21-9-11-22(12-10-21)16-5-3-2-4-6-16/h2-6,13-14,18H,7-12H2,1H3
InChIKeyUEWIRHGJJJOUIF-UHFFFAOYSA-N
XLogP1.01
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726267
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258334
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
3-[3-(4-phenylpiperazin-1-yl)propylamino]benzaldehyde
CID 90656691
2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
CID 28685245
5-chloro-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726215
2-methyl-5-[3-[[(1-phenylpiperidin-4-yl)amino]methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 45252002
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
2,4-dinitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]aniline
CID 38794679
1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
CID 18460636
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one (CID 14726359) is 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one is Cn1ncc(NCCN2CCN(c3ccccc3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one?
The InChIKey is UEWIRHGJJJOUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20-17(23)13-15(14-19-20)18-7-8-21-9-11-22(12-10-21)16-5-3-2-4-6-16/h2-6,13-14,18H,7-12H2,1H3.
What are the key properties of 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one?
2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one has a molecular weight of 313.41 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-phenylpiperazin-1-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 14726359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).