6-(1-aminocyclopropyl)-2-methylpyridazin-3-one

C8H11N3O — CID 84764921

IUPAC6-(1-aminocyclopropyl)-2-methylpyridazin-3-one
SMILESCn1nc(C2(N)CC2)ccc1=O
InChIInChI=1S/C8H11N3O/c1-11-7(12)3-2-6(10-11)8(9)4-5-8/h2-3H,4-5,9H2,1H3
InChIKeyLIJIRZVYXKABTO-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.27
Rot. Bonds1

About 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one

6-(1-aminocyclopropyl)-2-methylpyridazin-3-one (PubChem CID 84764921) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-2-methylpyridazin-3-one
PubChem CID84764921
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-(1-aminocyclopropyl)-2-methylpyridazin-3-one
SMILESCn1nc(C2(N)CC2)ccc1=O
InChIInChI=1S/C8H11N3O/c1-11-7(12)3-2-6(10-11)8(9)4-5-8/h2-3H,4-5,9H2,1H3
InChIKeyLIJIRZVYXKABTO-UHFFFAOYSA-N
XLogP-0.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-propan-2-ylpyridazin-3-one
CID 58757207
6-Tert-butyl-2-methylpyridazin-3-one
CID 89243949
4-Amino-6-cyclopropyl-2-methylpyridazin-3(2H)-one
CID 117127599
Ethane;2-methyl-6-propan-2-ylpyridazin-3-one
CID 157934091
6-Cyclopropyl-2,4-dimethylpyridazin-3-one
CID 169959751
3-(1-methylcyclopropyl)-1H-pyridazin-6-one
CID 80289109
6-(2-Aminopropan-2-yl)-2-methylpyridazin-3-one
CID 82442098
6-(2-Aminopropan-2-yl)-2-ethylpyridazin-3-one
CID 82442179
6-(2-Aminopropan-2-yl)-2-propylpyridazin-3-one
CID 82442261
6-(2-Aminopropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442340
6-(2-Aminopropan-2-yl)-2-butylpyridazin-3-one
CID 82442413
6-(3-Aminopropyl)-2-methylpyridazin-3-one
CID 82503021

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one (CID 84764921) is 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one is Cn1nc(C2(N)CC2)ccc1=O.
What is the InChIKey of 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one?
The InChIKey is LIJIRZVYXKABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-7(12)3-2-6(10-11)8(9)4-5-8/h2-3H,4-5,9H2,1H3.
What are the key properties of 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one?
6-(1-aminocyclopropyl)-2-methylpyridazin-3-one has a molecular weight of 165.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopropyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 84764921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).