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

C9H15N3O2 — CID 103218372

IUPAC5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCC(C)(O)CCn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,14)3-4-12-8(13)5-7(10)6-11-12/h5-6,14H,3-4,10H2,1-2H3
InChIKeyMPVZAEXVOSPOTO-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.01
Rot. Bonds3

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

5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (PubChem CID 103218372) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
PubChem CID103218372
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCC(C)(O)CCn1ncc(N)cc1=O
InChIInChI=1S/C9H15N3O2/c1-9(2,14)3-4-12-8(13)5-7(10)6-11-12/h5-6,14H,3-4,10H2,1-2H3
InChIKeyMPVZAEXVOSPOTO-UHFFFAOYSA-N
XLogP-0.01
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-Amino-2-(2-methylbutyl)pyridazin-3-one
CID 103218224
5-Amino-2-(3-methylbutyl)pyridazin-3-one
CID 103218247
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-butylpyridazin-3-one
CID 103218271
5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
2-(3-Hydroxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218540
2-(3-Hydroxy-2-methylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218601
2-(3-Hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218690

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (CID 103218372) is 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is CC(C)(O)CCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is MPVZAEXVOSPOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,14)3-4-12-8(13)5-7(10)6-11-12/h5-6,14H,3-4,10H2,1-2H3.
What are the key properties of 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103218372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).