4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile

C9H12N4O — CID 103218623

IUPAC4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
SMILESCNc1cnn(CCCC#N)c(=O)c1
InChIInChI=1S/C9H12N4O/c1-11-8-6-9(14)13(12-7-8)5-3-2-4-10/h6-7,11H,2-3,5H2,1H3
InChIKeyNCTMQJPOKRHCTA-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.59
Rot. Bonds4

About 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile

4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile (PubChem CID 103218623) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
PubChem CID103218623
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
SMILESCNc1cnn(CCCC#N)c(=O)c1
InChIInChI=1S/C9H12N4O/c1-11-8-6-9(14)13(12-7-8)5-3-2-4-10/h6-7,11H,2-3,5H2,1H3
InChIKeyNCTMQJPOKRHCTA-UHFFFAOYSA-N
XLogP0.59
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.59
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

N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
5-(Butylamino)-3-pyridazinol
CID 66523135
5-(Cyclopropylamino)-2-methylpyridazin-3-one
CID 84075865
5-(Dimethylamino)-2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073050
5-(Dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073053
5-[Ethyl(methyl)amino]-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073078
5-(Diethylamino)-2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073081
5-(Diethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073084
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103073091
5-[Methyl(propyl)amino]-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073094
5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The IUPAC name of 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile (CID 103218623) is 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile.
What is the SMILES notation for 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The canonical SMILES for 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile is CNc1cnn(CCCC#N)c(=O)c1.
What is the InChIKey of 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The InChIKey is NCTMQJPOKRHCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-11-8-6-9(14)13(12-7-8)5-3-2-4-10/h6-7,11H,2-3,5H2,1H3.
What are the key properties of 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile has a molecular weight of 192.22 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile is sourced from PubChem (CID 103218623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).