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

C9H15N3O — CID 82442312

IUPAC6-(1-aminoethyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)N)ccc1=O
InChIInChI=1S/C9H15N3O/c1-3-6-12-9(13)5-4-8(11-12)7(2)10/h4-5,7H,3,6,10H2,1-2H3
InChIKeyXYPUVAAVKRHUNQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.67
Rot. Bonds3

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

6-(1-aminoethyl)-2-propylpyridazin-3-one (PubChem CID 82442312) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-(1-aminoethyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-2-propylpyridazin-3-one
PubChem CID82442312
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-(1-aminoethyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(C)N)ccc1=O
InChIInChI=1S/C9H15N3O/c1-3-6-12-9(13)5-4-8(11-12)7(2)10/h4-5,7H,3,6,10H2,1-2H3
InChIKeyXYPUVAAVKRHUNQ-UHFFFAOYSA-N
XLogP0.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Methyl-6-oxopyridazin-1-yl)propanethioamide
CID 12787576
3-(3-Methyl-6-oxopyridazin-1-yl)butanethioamide
CID 12787577
3-(3-Methyl-6-oxopyridazin-1(6H)-yl)propanamide
CID 12787584
4-(3-Methyl-6-oxopyridazin-1-yl)butanethioamide
CID 12787591
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridazin-3-one
CID 62923014
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one
CID 103366579
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

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(1-aminoethyl)-2-propylpyridazin-3-one (CID 82442312) is 6-(1-aminoethyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(1-aminoethyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(1-aminoethyl)-2-propylpyridazin-3-one is CCCn1nc(C(C)N)ccc1=O.
What is the InChIKey of 6-(1-aminoethyl)-2-propylpyridazin-3-one?
The InChIKey is XYPUVAAVKRHUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-6-12-9(13)5-4-8(11-12)7(2)10/h4-5,7H,3,6,10H2,1-2H3.
What are the key properties of 6-(1-aminoethyl)-2-propylpyridazin-3-one?
6-(1-aminoethyl)-2-propylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 82442312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).