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

C10H13N3O — CID 106548667

IUPAC5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile
SMILESCc1cnn(CCCCC#N)c(=O)c1
InChIInChI=1S/C10H13N3O/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11/h7-8H,2-4,6H2,1H3
InChIKeyQIZFXTHAFQSIQR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.25
Rot. Bonds4

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

5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile (PubChem CID 106548667) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile
PubChem CID106548667
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile
SMILESCc1cnn(CCCCC#N)c(=O)c1
InChIInChI=1S/C10H13N3O/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11/h7-8H,2-4,6H2,1H3
InChIKeyQIZFXTHAFQSIQR-UHFFFAOYSA-N
XLogP1.25
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile
CID 65257208
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 106548687
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
4-(6-Oxopyridazin-1-yl)butanenitrile
CID 62849602
5-(6-Oxopyridazin-1-yl)pentanenitrile
CID 62850853
2-(4-Methyl-6-oxopyridazin-1-yl)acetonitrile
CID 84103793
2-(1-Ethyl-6-oxopyridazin-4-yl)acetonitrile
CID 84764612
2-(5-Aminopentyl)-5-methylpyridazin-3-one
CID 106548374
2-(5-Bromopentyl)-5-methylpyridazin-3-one
CID 106548469
3-(4-Methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548665

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile?
The IUPAC name of 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile (CID 106548667) is 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile?
The canonical SMILES for 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile is Cc1cnn(CCCCC#N)c(=O)c1.
What is the InChIKey of 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile?
The InChIKey is QIZFXTHAFQSIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11/h7-8H,2-4,6H2,1H3.
What are the key properties of 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile?
5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile has a molecular weight of 191.23 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile is sourced from PubChem (CID 106548667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).