6-(aminomethyl)-2-ethylpyridazin-3-one

C7H11N3O — CID 82442177

IUPAC6-(aminomethyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(CN)ccc1=O
InChIInChI=1S/C7H11N3O/c1-2-10-7(11)4-3-6(5-8)9-10/h3-4H,2,5,8H2,1H3
InChIKeyZKFQOCQTAMWEHV-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.28
Rot. Bonds2

About 6-(aminomethyl)-2-ethylpyridazin-3-one

6-(aminomethyl)-2-ethylpyridazin-3-one (PubChem CID 82442177) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 6-(aminomethyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-ethylpyridazin-3-one
PubChem CID82442177
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name6-(aminomethyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(CN)ccc1=O
InChIInChI=1S/C7H11N3O/c1-2-10-7(11)4-3-6(5-8)9-10/h3-4H,2,5,8H2,1H3
InChIKeyZKFQOCQTAMWEHV-UHFFFAOYSA-N
XLogP-0.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-6-oxopyridazin-1(6H)-yl)propanenitrile
CID 12758417
3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
2-(3-Methyl-6-oxopyridazin-1-yl)ethanethioamide
CID 12787590
2-[(1-Methyl-6-oxopyridazin-3-yl)methyl]guanidine;hydrochloride
CID 166631229
2,6-dimethylpyridazin-3(2H)-one
CID 12200174
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
2-Ethenyl-6-methylpyridazin-3(2H)-one
CID 12346432
2-(2-Fluoroethyl)-6-methylpyridazin-3-one
CID 59803334
2-(2,2-Difluoroethyl)-6-methylpyridazin-3-one
CID 59803335
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 45794092
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(aminomethyl)-2-ethylpyridazin-3-one (CID 82442177) is 6-(aminomethyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(aminomethyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(aminomethyl)-2-ethylpyridazin-3-one is CCn1nc(CN)ccc1=O.
What is the InChIKey of 6-(aminomethyl)-2-ethylpyridazin-3-one?
The InChIKey is ZKFQOCQTAMWEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-10-7(11)4-3-6(5-8)9-10/h3-4H,2,5,8H2,1H3.
What are the key properties of 6-(aminomethyl)-2-ethylpyridazin-3-one?
6-(aminomethyl)-2-ethylpyridazin-3-one has a molecular weight of 153.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82442177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).