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

C10H17N3O2 — CID 103218417

IUPAC5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
SMILESCOC(C)(C)CCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,15-3)4-5-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3
InChIKeyPRCPPTYJEPLZDR-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.64
Rot. Bonds4

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

5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one (PubChem CID 103218417) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
PubChem CID103218417
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
SMILESCOC(C)(C)CCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,15-3)4-5-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3
InChIKeyPRCPPTYJEPLZDR-UHFFFAOYSA-N
XLogP0.64
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
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-(4-methoxybutyl)pyridazin-3-one
CID 103218204
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207
5-Amino-2-(2-methylbutyl)pyridazin-3-one
CID 103218224
5-Amino-2-(3-methylbutyl)pyridazin-3-one
CID 103218247
5-Amino-2-butylpyridazin-3-one
CID 103218271
5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
5-Amino-2-(2-ethylbutyl)pyridazin-3-one
CID 103218305
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
5-Amino-2-(4-methylpentyl)pyridazin-3-one
CID 103218377
5-Amino-2-(2-methylpentyl)pyridazin-3-one
CID 103218396

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one (CID 103218417) is 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one is COC(C)(C)CCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is PRCPPTYJEPLZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,15-3)4-5-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 211.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103218417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).