5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile

C9H12N4O — CID 103218359

IUPAC5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile
SMILESN#CCCCCn1ncc(N)cc1=O
InChIInChI=1S/C9H12N4O/c10-4-2-1-3-5-13-9(14)6-8(11)7-12-13/h6-7H,1-3,5,11H2
InChIKeyAZXJFIQMAPYBCG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.52
Rot. Bonds4

About 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile

5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile (PubChem CID 103218359) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile
PubChem CID103218359
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile
SMILESN#CCCCCn1ncc(N)cc1=O
InChIInChI=1S/C9H12N4O/c10-4-2-1-3-5-13-9(14)6-8(11)7-12-13/h6-7H,1-3,5,11H2
InChIKeyAZXJFIQMAPYBCG-UHFFFAOYSA-N
XLogP0.52
TPSA84.70 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 ≤ 50.52
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-nonylpyridazin-3-one
CID 103218165
5-Amino-2-heptylpyridazin-3-one
CID 103218166
5-Amino-2-hexylpyridazin-3-one
CID 103218167
2-(4-Amino-6-oxopyridazin-1-yl)acetonitrile
CID 103218174
5-Amino-2-octylpyridazin-3-one
CID 103218208
5-Amino-2-decylpyridazin-3-one
CID 103218251
5-Amino-2-butylpyridazin-3-one
CID 103218271
4-(4-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218325
5-Amino-2-pentylpyridazin-3-one
CID 103218330
2-(4-Amino-6-oxopyridazin-1-yl)propanenitrile
CID 103218358
4-(4-Amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
CID 103218364
2-(4-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218401

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile?
The IUPAC name of 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile (CID 103218359) is 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile?
The canonical SMILES for 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile is N#CCCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile?
The InChIKey is AZXJFIQMAPYBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-4-2-1-3-5-13-9(14)6-8(11)7-12-13/h6-7H,1-3,5,11H2.
What are the key properties of 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile?
5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile has a molecular weight of 192.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-6-oxopyridazin-1-yl)pentanenitrile is sourced from PubChem (CID 103218359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).