5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile

C11H16N4O — CID 103219109

IUPAC5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile
SMILESCCNc1cnn(CCCCC#N)c(=O)c1
InChIInChI=1S/C11H16N4O/c1-2-13-10-8-11(16)15(14-9-10)7-5-3-4-6-12/h8-9,13H,2-5,7H2,1H3
InChIKeyCPAAPFXHNZOTAW-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.37
Rot. Bonds6

About 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile

5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile (PubChem CID 103219109) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile
PubChem CID103219109
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile
SMILESCCNc1cnn(CCCCC#N)c(=O)c1
InChIInChI=1S/C11H16N4O/c1-2-13-10-8-11(16)15(14-9-10)7-5-3-4-6-12/h8-9,13H,2-5,7H2,1H3
InChIKeyCPAAPFXHNZOTAW-UHFFFAOYSA-N
XLogP1.37
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[Methyl(propan-2-yl)amino]-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one
CID 91662774
5-[methyl(propan-2-yl)amino]-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 99965035
5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one
CID 99965036
5-(dimethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819928
5-(dimethylamino)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819929
5-[ethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819938
5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819939
5-[methyl(propyl)amino]-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819942
5-[methyl(propyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819943
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
CID 103073062
5-Amino-2-nonylpyridazin-3-one
CID 103218165
5-Amino-2-heptylpyridazin-3-one
CID 103218166

Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile (CID 103219109) is 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile is CCNc1cnn(CCCCC#N)c(=O)c1.
What is the InChIKey of 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile?
The InChIKey is CPAAPFXHNZOTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-13-10-8-11(16)15(14-9-10)7-5-3-4-6-12/h8-9,13H,2-5,7H2,1H3.
What are the key properties of 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile?
5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile has a molecular weight of 220.28 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylamino)-6-oxopyridazin-1-yl]pentanenitrile is sourced from PubChem (CID 103219109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).