4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one

C15H27N5O2 — CID 44596861

IUPAC4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESCc1nn(CCCN2CCN(C)CC2)c(=O)c(N)c1C(C)O
InChIInChI=1S/C15H27N5O2/c1-11-13(12(2)21)14(16)15(22)20(17-11)6-4-5-19-9-7-18(3)8-10-19/h12,21H,4-10,16H2,1-3H3
InChIKeyDISZAVKXIPJCDW-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.18
Rot. Bonds5

About 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one

4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one (PubChem CID 44596861) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one
PubChem CID44596861
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESCc1nn(CCCN2CCN(C)CC2)c(=O)c(N)c1C(C)O
InChIInChI=1S/C15H27N5O2/c1-11-13(12(2)21)14(16)15(22)20(17-11)6-4-5-19-9-7-18(3)8-10-19/h12,21H,4-10,16H2,1-3H3
InChIKeyDISZAVKXIPJCDW-UHFFFAOYSA-N
XLogP-0.18
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one?
The IUPAC name of 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one (CID 44596861) is 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one?
The canonical SMILES for 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one is Cc1nn(CCCN2CCN(C)CC2)c(=O)c(N)c1C(C)O.
What is the InChIKey of 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one?
The InChIKey is DISZAVKXIPJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11-13(12(2)21)14(16)15(22)20(17-11)6-4-5-19-9-7-18(3)8-10-19/h12,21H,4-10,16H2,1-3H3.
What are the key properties of 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one?
4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one has a molecular weight of 309.41 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 44596861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).