2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile

C8H10N4O — CID 103218670

IUPAC2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile
SMILESCNc1cnn(C(C)C#N)c(=O)c1
InChIInChI=1S/C8H10N4O/c1-6(4-9)12-8(13)3-7(10-2)5-11-12/h3,5-6,10H,1-2H3
InChIKeyGMOVMBROMYXYNL-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.37
Rot. Bonds2

About 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile

2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile (PubChem CID 103218670) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile
PubChem CID103218670
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile
SMILESCNc1cnn(C(C)C#N)c(=O)c1
InChIInChI=1S/C8H10N4O/c1-6(4-9)12-8(13)3-7(10-2)5-11-12/h3,5-6,10H,1-2H3
InChIKeyGMOVMBROMYXYNL-UHFFFAOYSA-N
XLogP0.37
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
2-Methyl-5-(methylamino)pyridazin-3(2H)-one
CID 10510928
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-[Ethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073079
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
5-(Diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073085

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile (CID 103218670) is 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile is CNc1cnn(C(C)C#N)c(=O)c1.
What is the InChIKey of 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile?
The InChIKey is GMOVMBROMYXYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6(4-9)12-8(13)3-7(10-2)5-11-12/h3,5-6,10H,1-2H3.
What are the key properties of 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile?
2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile has a molecular weight of 178.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanenitrile is sourced from PubChem (CID 103218670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).