5-amino-2-(2-methylpentyl)pyridazin-3-one

C10H17N3O — CID 103218396

IUPAC5-amino-2-(2-methylpentyl)pyridazin-3-one
SMILESCCCC(C)Cn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O/c1-3-4-8(2)7-13-10(14)5-9(11)6-12-13/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeySSFNVSUSCRLKDB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.26
Rot. Bonds4

About 5-amino-2-(2-methylpentyl)pyridazin-3-one

5-amino-2-(2-methylpentyl)pyridazin-3-one (PubChem CID 103218396) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-amino-2-(2-methylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-methylpentyl)pyridazin-3-one
PubChem CID103218396
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-amino-2-(2-methylpentyl)pyridazin-3-one
SMILESCCCC(C)Cn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O/c1-3-4-8(2)7-13-10(14)5-9(11)6-12-13/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeySSFNVSUSCRLKDB-UHFFFAOYSA-N
XLogP1.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylpentyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-methylpentyl)pyridazin-3-one (CID 103218396) is 5-amino-2-(2-methylpentyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-methylpentyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-methylpentyl)pyridazin-3-one is CCCC(C)Cn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(2-methylpentyl)pyridazin-3-one?
The InChIKey is SSFNVSUSCRLKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-8(2)7-13-10(14)5-9(11)6-12-13/h5-6,8H,3-4,7,11H2,1-2H3.
What are the key properties of 5-amino-2-(2-methylpentyl)pyridazin-3-one?
5-amino-2-(2-methylpentyl)pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylpentyl)pyridazin-3-one is sourced from PubChem (CID 103218396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).