2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one

C17H23N3O2 — CID 16756096

IUPAC2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one
SMILESCCCCn1nc(-c2ccccc2)c(C(C)O)c(NC)c1=O
InChIInChI=1S/C17H23N3O2/c1-4-5-11-20-17(22)16(18-3)14(12(2)21)15(19-20)13-9-7-6-8-10-13/h6-10,12,18,21H,4-5,11H2,1-3H3
InChIKeyBWTHEMMPGWRZLV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.81
Rot. Bonds6

About 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one

2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one (PubChem CID 16756096) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one
PubChem CID16756096
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one
SMILESCCCCn1nc(-c2ccccc2)c(C(C)O)c(NC)c1=O
InChIInChI=1S/C17H23N3O2/c1-4-5-11-20-17(22)16(18-3)14(12(2)21)15(19-20)13-9-7-6-8-10-13/h6-10,12,18,21H,4-5,11H2,1-3H3
InChIKeyBWTHEMMPGWRZLV-UHFFFAOYSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-5-(1-hydroxyethyl)-2-methyl-6-phenylpyridazin-3-one
CID 16756196
6-butyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 23279707
5-acetyl-2-butyl-4-(3-chloroanilino)-6-phenylpyridazin-3-one;5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one
CID 159588731
1-butyl-5-(isoquinolin-4-ylamino)-3-(4-methylphenyl)-6-oxopyridazine-4-carboxylic acid
CID 91023770
2-hexyl-5,6-diphenylpyridazin-3-one
CID 10882161
2-butyl-4-(3-chlorophenyl)phthalazin-1-one
CID 86166030
2-butyl-3-oxo-6-phenylpyridazine-4-carbothioamide
CID 82447022
3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002
1-butyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 10358097
1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one
CID 134113756
5-acetyl-4-(3-chloroanilino)-6-phenyl-2-propylpyridazin-3-one
CID 69154598
2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]propanoic acid
CID 119349081

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one?
The IUPAC name of 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one (CID 16756096) is 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one?
The canonical SMILES for 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one is CCCCn1nc(-c2ccccc2)c(C(C)O)c(NC)c1=O.
What is the InChIKey of 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one?
The InChIKey is BWTHEMMPGWRZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-5-11-20-17(22)16(18-3)14(12(2)21)15(19-20)13-9-7-6-8-10-13/h6-10,12,18,21H,4-5,11H2,1-3H3.
What are the key properties of 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one?
2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one has a molecular weight of 301.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(1-hydroxyethyl)-4-(methylamino)-6-phenylpyridazin-3-one is sourced from PubChem (CID 16756096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).