2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

C14H23N5O — CID 103218160

IUPAC2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESCN1CCN(CCn2nc3c(cc2=O)NCCC3)CC1
InChIInChI=1S/C14H23N5O/c1-17-5-7-18(8-6-17)9-10-19-14(20)11-13-12(16-19)3-2-4-15-13/h11,15H,2-10H2,1H3
InChIKeyWKBSWHWJDABSEY-UHFFFAOYSA-N
MW277.37 g/mol
LogP-0.15
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (PubChem CID 103218160) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
PubChem CID103218160
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESCN1CCN(CCn2nc3c(cc2=O)NCCC3)CC1
InChIInChI=1S/C14H23N5O/c1-17-5-7-18(8-6-17)9-10-19-14(20)11-13-12(16-19)3-2-4-15-13/h11,15H,2-10H2,1H3
InChIKeyWKBSWHWJDABSEY-UHFFFAOYSA-N
XLogP-0.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (CID 103218160) is 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is CN1CCN(CCn2nc3c(cc2=O)NCCC3)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The InChIKey is WKBSWHWJDABSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17-5-7-18(8-6-17)9-10-19-14(20)11-13-12(16-19)3-2-4-15-13/h11,15H,2-10H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is sourced from PubChem (CID 103218160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).