2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one

C10H17N3O — CID 106548593

IUPAC2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one
SMILESCCNCCCn1ncc(C)cc1=O
InChIInChI=1S/C10H17N3O/c1-3-11-5-4-6-13-10(14)7-9(2)8-12-13/h7-8,11H,3-6H2,1-2H3
InChIKeyCYGGWGVUUCWSCO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds5

About 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one

2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one (PubChem CID 106548593) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one
PubChem CID106548593
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one
SMILESCCNCCCn1ncc(C)cc1=O
InChIInChI=1S/C10H17N3O/c1-3-11-5-4-6-13-10(14)7-9(2)8-12-13/h7-8,11H,3-6H2,1-2H3
InChIKeyCYGGWGVUUCWSCO-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
N-(2-methylpropyl)-6-oxo-1H-pyridazine-4-carboxamide
CID 20785128
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 23018232
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
CID 23018258
N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 89020618
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
4-Methanimidoyl-5-(methylamino)-2-prop-2-enylpyridazin-3-one
CID 156187890
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one (CID 106548593) is 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one is CCNCCCn1ncc(C)cc1=O.
What is the InChIKey of 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one?
The InChIKey is CYGGWGVUUCWSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-11-5-4-6-13-10(14)7-9(2)8-12-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one?
2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).