6-(1-aminoethyl)-2-ethylpyridazin-3-one

C8H13N3O — CID 82442232

IUPAC6-(1-aminoethyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(C)N)ccc1=O
InChIInChI=1S/C8H13N3O/c1-3-11-8(12)5-4-7(10-11)6(2)9/h4-6H,3,9H2,1-2H3
InChIKeyDFSFYIDIOOJEMT-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.28
Rot. Bonds2

About 6-(1-aminoethyl)-2-ethylpyridazin-3-one

6-(1-aminoethyl)-2-ethylpyridazin-3-one (PubChem CID 82442232) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-(1-aminoethyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-2-ethylpyridazin-3-one
PubChem CID82442232
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-(1-aminoethyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(C)N)ccc1=O
InChIInChI=1S/C8H13N3O/c1-3-11-8(12)5-4-7(10-11)6(2)9/h4-6H,3,9H2,1-2H3
InChIKeyDFSFYIDIOOJEMT-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
6-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 62922503
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridazin-3-one
CID 62923014
2-(4-Aminobutan-2-yl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 122239440
2-(3-Aminopropyl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 122239451
2-[(2S)-4-aminobutan-2-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 129531925
2-[(2R)-4-aminobutan-2-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 129531926
2-(2-aminoethyl)-6-methylpyridazin-3(2H)-one
CID 13103485
2-Ethyl-6-methylpyridazin-3-one
CID 12504075

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(1-aminoethyl)-2-ethylpyridazin-3-one (CID 82442232) is 6-(1-aminoethyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(1-aminoethyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(1-aminoethyl)-2-ethylpyridazin-3-one is CCn1nc(C(C)N)ccc1=O.
What is the InChIKey of 6-(1-aminoethyl)-2-ethylpyridazin-3-one?
The InChIKey is DFSFYIDIOOJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-11-8(12)5-4-7(10-11)6(2)9/h4-6H,3,9H2,1-2H3.
What are the key properties of 6-(1-aminoethyl)-2-ethylpyridazin-3-one?
6-(1-aminoethyl)-2-ethylpyridazin-3-one has a molecular weight of 167.21 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-(1-aminoethyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82442232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).