2-(4-amino-6-oxopyridazin-1-yl)propanenitrile

C7H8N4O — CID 103218358

IUPAC2-(4-amino-6-oxopyridazin-1-yl)propanenitrile
SMILESCC(C#N)n1ncc(N)cc1=O
InChIInChI=1S/C7H8N4O/c1-5(3-8)11-7(12)2-6(9)4-10-11/h2,4-5H,9H2,1H3
InChIKeyDFQNEELSGGZPFO-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.09
Rot. Bonds1

About 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile

2-(4-amino-6-oxopyridazin-1-yl)propanenitrile (PubChem CID 103218358) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)propanenitrile
PubChem CID103218358
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)propanenitrile
SMILESCC(C#N)n1ncc(N)cc1=O
InChIInChI=1S/C7H8N4O/c1-5(3-8)11-7(12)2-6(9)4-10-11/h2,4-5H,9H2,1H3
InChIKeyDFQNEELSGGZPFO-UHFFFAOYSA-N
XLogP-0.09
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 10558626
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
2-Methyl-5-(methylamino)pyridazin-3(2H)-one
CID 10510928
5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
2-(4-Amino-6-oxopyridazin-1-yl)acetonitrile
CID 103218174
2-(4-Amino-6-oxopyridazin-1-yl)propanamide
CID 103218189
5-Amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
5-Amino-2-propylpyridazin-3-one
CID 103218210
5-Amino-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103218248
5-Amino-2-butylpyridazin-3-one
CID 103218271
5-Amino-2-ethylpyridazin-3-one
CID 103218288

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile (CID 103218358) is 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile is CC(C#N)n1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile?
The InChIKey is DFQNEELSGGZPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5(3-8)11-7(12)2-6(9)4-10-11/h2,4-5H,9H2,1H3.
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile?
2-(4-amino-6-oxopyridazin-1-yl)propanenitrile has a molecular weight of 164.17 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxopyridazin-1-yl)propanenitrile is sourced from PubChem (CID 103218358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).