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

C8H13N3O — CID 103218168

IUPAC5-amino-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N)cc1=O
InChIInChI=1S/C8H13N3O/c1-6(2)5-11-8(12)3-7(9)4-10-11/h3-4,6H,5,9H2,1-2H3
InChIKeyIIGAWGLDVAKMSL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.48
Rot. Bonds2

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

5-amino-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 103218168) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-amino-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-methylpropyl)pyridazin-3-one
PubChem CID103218168
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-amino-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N)cc1=O
InChIInChI=1S/C8H13N3O/c1-6(2)5-11-8(12)3-7(9)4-10-11/h3-4,6H,5,9H2,1-2H3
InChIKeyIIGAWGLDVAKMSL-UHFFFAOYSA-N
XLogP0.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2-methoxypropyl)pyridazin-3-one
CID 103218443
5-amino-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103218225
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
CID 103218315
5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218195
5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218301
2-(4-amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218401
4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide
CID 103218228
7-chloro-1-(2-methylpropyl)indazol-5-amine
CID 90308746
5-amino-2-[(6-methoxypyridazin-3-yl)methyl]pyridazin-3-one
CID 114268942
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-methylpropyl)pyridazin-3-one (CID 103218168) is 5-amino-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is IIGAWGLDVAKMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)5-11-8(12)3-7(9)4-10-11/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 5-amino-2-(2-methylpropyl)pyridazin-3-one?
5-amino-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 103218168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).