5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one

C14H23N5O2 — CID 114395910

IUPAC5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CC3CNCCO3)c(=O)c2)CC1
InChIInChI=1S/C14H23N5O2/c1-17-3-5-18(6-4-17)12-8-14(20)19(16-9-12)11-13-10-15-2-7-21-13/h8-9,13,15H,2-7,10-11H2,1H3
InChIKeyVHUMZBCPMFLPNV-UHFFFAOYSA-N
MW293.37 g/mol
LogP-1.02
Rot. Bonds3

About 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one

5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one (PubChem CID 114395910) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one
PubChem CID114395910
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CC3CNCCO3)c(=O)c2)CC1
InChIInChI=1S/C14H23N5O2/c1-17-3-5-18(6-4-17)12-8-14(20)19(16-9-12)11-13-10-15-2-7-21-13/h8-9,13,15H,2-7,10-11H2,1H3
InChIKeyVHUMZBCPMFLPNV-UHFFFAOYSA-N
XLogP-1.02
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one (CID 114395910) is 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one is CN1CCN(c2cnn(CC3CNCCO3)c(=O)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one?
The InChIKey is VHUMZBCPMFLPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17-3-5-18(6-4-17)12-8-14(20)19(16-9-12)11-13-10-15-2-7-21-13/h8-9,13,15H,2-7,10-11H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one?
5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one has a molecular weight of 293.37 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-(morpholin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114395910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).