2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one

C8H13N3O — CID 82503037

IUPAC2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one
SMILESCC(C)(CN)n1ncccc1=O
InChIInChI=1S/C8H13N3O/c1-8(2,6-9)11-7(12)4-3-5-10-11/h3-5H,6,9H2,1-2H3
InChIKeyCEZOTLLCCVEYNG-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.06
Rot. Bonds2

About 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one

2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one (PubChem CID 82503037) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one
PubChem CID82503037
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one
SMILESCC(C)(CN)n1ncccc1=O
InChIInChI=1S/C8H13N3O/c1-8(2,6-9)11-7(12)4-3-5-10-11/h3-5H,6,9H2,1-2H3
InChIKeyCEZOTLLCCVEYNG-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Aminoethyl)-2,3-dihydropyridazin-3-one
CID 10534729
2-t-Butyl-2h-pyridazin-3-one
CID 12778309
4-amino-2-(tert-butyl)-3(2H)-pyridazinone
CID 11321180
2-(2-(Dimethylamino)ethyl)pyridazin-3(2H)-one
CID 25181395
2-Tert-butyl-4-methylpyridazin-3-one
CID 89243952
2-(2-Methylbutan-2-yl)pyridazin-3-one
CID 126757519
N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide
CID 139772208
2-Tert-butylpyridazin-3-one;ethane
CID 160588475
2-[2-(Propylamino)ethyl]pyridazin-3-one
CID 62848550
2-[2-(Butan-2-ylamino)ethyl]pyridazin-3-one
CID 62848750
2-[2-(2-Methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 62848919
2-[2-(Methylamino)ethyl]pyridazin-3-one
CID 62849066

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one (CID 82503037) is 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one is CC(C)(CN)n1ncccc1=O.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one?
The InChIKey is CEZOTLLCCVEYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,6-9)11-7(12)4-3-5-10-11/h3-5H,6,9H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one?
2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 82503037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).