5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one

C15H24N4O — CID 107914577

IUPAC5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
SMILESCN1CCCCC1CCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C15H24N4O/c1-18-8-3-2-4-14(18)7-9-19-15(20)10-13(11-16-19)17-12-5-6-12/h10-12,14,17H,2-9H2,1H3
InChIKeyBTVCUTUNPAIEPN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds5

About 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one

5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one (PubChem CID 107914577) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
PubChem CID107914577
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
SMILESCN1CCCCC1CCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C15H24N4O/c1-18-8-3-2-4-14(18)7-9-19-15(20)10-13(11-16-19)17-12-5-6-12/h10-12,14,17H,2-9H2,1H3
InChIKeyBTVCUTUNPAIEPN-UHFFFAOYSA-N
XLogP1.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one (CID 107914577) is 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one is CN1CCCCC1CCn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
The InChIKey is BTVCUTUNPAIEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-8-3-2-4-14(18)7-9-19-15(20)10-13(11-16-19)17-12-5-6-12/h10-12,14,17H,2-9H2,1H3.
What are the key properties of 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one?
5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 107914577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).