5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

C11H17N3O2 — CID 103219864

IUPAC5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C11H17N3O2/c1-8(7-15)6-14-11(16)4-10(5-12-14)13-9-2-3-9/h4-5,8-9,13,15H,2-3,6-7H2,1H3
InChIKeyNJHURHPFLGALJD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds5

About 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (PubChem CID 103219864) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
PubChem CID103219864
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C11H17N3O2/c1-8(7-15)6-14-11(16)4-10(5-12-14)13-9-2-3-9/h4-5,8-9,13,15H,2-3,6-7H2,1H3
InChIKeyNJHURHPFLGALJD-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (CID 103219864) is 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is CC(CO)Cn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The InChIKey is NJHURHPFLGALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(7-15)6-14-11(16)4-10(5-12-14)13-9-2-3-9/h4-5,8-9,13,15H,2-3,6-7H2,1H3.
What are the key properties of 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 103219864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).