4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile

C10H14N4O — CID 103218364

IUPAC4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1ncc(N)cc1=O
InChIInChI=1S/C10H14N4O/c1-10(2,7-11)3-4-14-9(15)5-8(12)6-13-14/h5-6H,3-4,12H2,1-2H3
InChIKeyMWHBZNGPEGXFTP-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.77
Rot. Bonds3

About 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile

4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile (PubChem CID 103218364) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
PubChem CID103218364
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1ncc(N)cc1=O
InChIInChI=1S/C10H14N4O/c1-10(2,7-11)3-4-14-9(15)5-8(12)6-13-14/h5-6H,3-4,12H2,1-2H3
InChIKeyMWHBZNGPEGXFTP-UHFFFAOYSA-N
XLogP0.77
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-Amino-2-(2-methylbutyl)pyridazin-3-one
CID 103218224
5-Amino-2-(3-methylbutyl)pyridazin-3-one
CID 103218247
5-Amino-2-butylpyridazin-3-one
CID 103218271
5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
4-(4-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218325
2-(4-Amino-6-oxopyridazin-1-yl)propanenitrile
CID 103218358
5-(4-Amino-6-oxopyridazin-1-yl)pentanenitrile
CID 103218359
2-(4-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218401
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576
4-[4-(Methylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103218623
2-[4-(Methylamino)-6-oxopyridazin-1-yl]propanenitrile
CID 103218670

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile (CID 103218364) is 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile is CC(C)(C#N)CCn1ncc(N)cc1=O.
What is the InChIKey of 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile?
The InChIKey is MWHBZNGPEGXFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,7-11)3-4-14-9(15)5-8(12)6-13-14/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile?
4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile has a molecular weight of 206.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 103218364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).