5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

C13H21N3O2 — CID 103221943

IUPAC5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCC(C)(O)CCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C13H21N3O2/c1-13(2,18)5-6-16-12(17)7-11(9-15-16)14-8-10-3-4-10/h7,9-10,14,18H,3-6,8H2,1-2H3
InChIKeyPITKPXGCEFNXMG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.23
Rot. Bonds6

About 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (PubChem CID 103221943) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
PubChem CID103221943
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCC(C)(O)CCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C13H21N3O2/c1-13(2,18)5-6-16-12(17)7-11(9-15-16)14-8-10-3-4-10/h7,9-10,14,18H,3-6,8H2,1-2H3
InChIKeyPITKPXGCEFNXMG-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
5-(Methylamino)-2-(2-methylbutyl)pyridazin-3-one
CID 103218501
5-(Methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-(2-Ethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218589
2-(3-Hydroxy-2-methylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218601
2-(3-Hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218690
2-(3-Methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218770
5-(Ethylamino)-2-(2-methylbutyl)pyridazin-3-one
CID 103218902
5-(Ethylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218939
5-(Ethylamino)-2-(2-ethylbutyl)pyridazin-3-one
CID 103219028
5-(Ethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103219042

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (CID 103221943) is 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is CC(C)(O)CCn1ncc(NCC2CC2)cc1=O.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is PITKPXGCEFNXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,18)5-6-16-12(17)7-11(9-15-16)14-8-10-3-4-10/h7,9-10,14,18H,3-6,8H2,1-2H3.
What are the key properties of 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103221943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).