5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile

C12H18N4O — CID 103220287

IUPAC5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile
SMILESCCCNc1cnn(CCCCC#N)c(=O)c1
InChIInChI=1S/C12H18N4O/c1-2-7-14-11-9-12(17)16(15-10-11)8-5-3-4-6-13/h9-10,14H,2-5,7-8H2,1H3
InChIKeyNTGOCANDRSONBN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.76
Rot. Bonds7

About 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile

5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile (PubChem CID 103220287) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile
PubChem CID103220287
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile
SMILESCCCNc1cnn(CCCCC#N)c(=O)c1
InChIInChI=1S/C12H18N4O/c1-2-7-14-11-9-12(17)16(15-10-11)8-5-3-4-6-13/h9-10,14H,2-5,7-8H2,1H3
InChIKeyNTGOCANDRSONBN-UHFFFAOYSA-N
XLogP1.76
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.76
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-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile?
The IUPAC name of 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile (CID 103220287) is 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile?
The canonical SMILES for 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile is CCCNc1cnn(CCCCC#N)c(=O)c1.
What is the InChIKey of 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile?
The InChIKey is NTGOCANDRSONBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-7-14-11-9-12(17)16(15-10-11)8-5-3-4-6-13/h9-10,14H,2-5,7-8H2,1H3.
What are the key properties of 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile?
5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile has a molecular weight of 234.30 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-oxo-4-(propylamino)pyridazin-1-yl]pentanenitrile is sourced from PubChem (CID 103220287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).