3-(2-methylpropylamino)-1H-pyridazin-6-one

C8H13N3O — CID 121205006

IUPAC3-(2-methylpropylamino)-1H-pyridazin-6-one
SMILESCC(C)CNc1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O/c1-6(2)5-9-7-3-4-8(12)11-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyJKGLUKZVVAYMPF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.84
Rot. Bonds3

About 3-(2-methylpropylamino)-1H-pyridazin-6-one

3-(2-methylpropylamino)-1H-pyridazin-6-one (PubChem CID 121205006) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2-methylpropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-methylpropylamino)-1H-pyridazin-6-one
PubChem CID121205006
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(2-methylpropylamino)-1H-pyridazin-6-one
SMILESCC(C)CNc1ccc(=O)[nH]n1
InChIInChI=1S/C8H13N3O/c1-6(2)5-9-7-3-4-8(12)11-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyJKGLUKZVVAYMPF-UHFFFAOYSA-N
XLogP0.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(3-oxo-2,3-dihydropyridazin-6-yl)amino]propanamide
CID 155801723
3-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 133622184
6-(Methylamino)pyridazin-3(2H)-one
CID 13274961
6-(Ethylamino)pyridazin-3(2H)-one
CID 13274962
6-(Propylamino)pyridazin-3(2H)-one
CID 13274963
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
6-(Diethylamino)pyridazin-3(2H)-one
CID 70522275
6-(Butyl(ethyl)amino)pyridazin-3-ol
CID 121205017
6-(Hexylamino)pyridazin-3-ol
CID 121205909
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one
CID 141300649
6-[(Propan-2-yl)amino]pyridazin-3(2H)-one
CID 13274964

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-methylpropylamino)-1H-pyridazin-6-one (CID 121205006) is 3-(2-methylpropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-methylpropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-methylpropylamino)-1H-pyridazin-6-one is CC(C)CNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(2-methylpropylamino)-1H-pyridazin-6-one?
The InChIKey is JKGLUKZVVAYMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)5-9-7-3-4-8(12)11-10-7/h3-4,6H,5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 3-(2-methylpropylamino)-1H-pyridazin-6-one?
3-(2-methylpropylamino)-1H-pyridazin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 121205006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).