5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile

C10H14N4O — CID 103218672

IUPAC5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile
SMILESCNc1cnn(CCCCC#N)c(=O)c1
InChIInChI=1S/C10H14N4O/c1-12-9-7-10(15)14(13-8-9)6-4-2-3-5-11/h7-8,12H,2-4,6H2,1H3
InChIKeyYTMHJDZNPCCAJA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.98
Rot. Bonds5

About 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile

5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile (PubChem CID 103218672) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile
PubChem CID103218672
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile
SMILESCNc1cnn(CCCCC#N)c(=O)c1
InChIInChI=1S/C10H14N4O/c1-12-9-7-10(15)14(13-8-9)6-4-2-3-5-11/h7-8,12H,2-4,6H2,1H3
InChIKeyYTMHJDZNPCCAJA-UHFFFAOYSA-N
XLogP0.98
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.98
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-heptylpyridazin-3-one
CID 103218166
5-Amino-2-hexylpyridazin-3-one
CID 103218167
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-cyanoethyl)acetamide
CID 103218171
4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide
CID 103218228
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
5-(4-Amino-6-oxopyridazin-1-yl)pentanenitrile
CID 103218359
4-(4-Amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
CID 103218364
2-(4-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218401
2-Heptyl-5-(methylamino)pyridazin-3-one
CID 103218448

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile (CID 103218672) is 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile is CNc1cnn(CCCCC#N)c(=O)c1.
What is the InChIKey of 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile?
The InChIKey is YTMHJDZNPCCAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-12-9-7-10(15)14(13-8-9)6-4-2-3-5-11/h7-8,12H,2-4,6H2,1H3.
What are the key properties of 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile?
5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile has a molecular weight of 206.25 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)-6-oxopyridazin-1-yl]pentanenitrile is sourced from PubChem (CID 103218672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).