4-(4-amino-6-oxopyridazin-1-yl)butanenitrile

C8H10N4O — CID 103218325

IUPAC4-(4-amino-6-oxopyridazin-1-yl)butanenitrile
SMILESN#CCCCn1ncc(N)cc1=O
InChIInChI=1S/C8H10N4O/c9-3-1-2-4-12-8(13)5-7(10)6-11-12/h5-6H,1-2,4,10H2
InChIKeyVNQZVLFWCJLEQN-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.13
Rot. Bonds3

About 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile

4-(4-amino-6-oxopyridazin-1-yl)butanenitrile (PubChem CID 103218325) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile.

Molecular Properties

Compound Name4-(4-amino-6-oxopyridazin-1-yl)butanenitrile
PubChem CID103218325
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4-(4-amino-6-oxopyridazin-1-yl)butanenitrile
SMILESN#CCCCn1ncc(N)cc1=O
InChIInChI=1S/C8H10N4O/c9-3-1-2-4-12-8(13)5-7(10)6-11-12/h5-6H,1-2,4,10H2
InChIKeyVNQZVLFWCJLEQN-UHFFFAOYSA-N
XLogP0.13
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.13
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-Amino-2-hexylpyridazin-3-one
CID 103218167
5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide
CID 103218171
2-(4-Amino-6-oxopyridazin-1-yl)acetonitrile
CID 103218174
5-Amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
5-Amino-2-propylpyridazin-3-one
CID 103218210
5-Amino-2-(2-methylbutyl)pyridazin-3-one
CID 103218224
5-Amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103218227
5-Amino-2-(3-methylbutyl)pyridazin-3-one
CID 103218247
5-Amino-2-butylpyridazin-3-one
CID 103218271
5-Amino-2-ethylpyridazin-3-one
CID 103218288
5-Amino-2-pentylpyridazin-3-one
CID 103218330

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile?
The IUPAC name of 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile (CID 103218325) is 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile.
What is the SMILES notation for 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile?
The canonical SMILES for 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile is N#CCCCn1ncc(N)cc1=O.
What is the InChIKey of 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile?
The InChIKey is VNQZVLFWCJLEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-3-1-2-4-12-8(13)5-7(10)6-11-12/h5-6H,1-2,4,10H2.
What are the key properties of 4-(4-amino-6-oxopyridazin-1-yl)butanenitrile?
4-(4-amino-6-oxopyridazin-1-yl)butanenitrile has a molecular weight of 178.19 g/mol, XLogP of 0.13, 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)butanenitrile is sourced from PubChem (CID 103218325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).