2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile

C13H20N4O — CID 106714919

IUPAC2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile
SMILESCNc1cnn(CCCCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C13H20N4O/c1-13(2,10-14)6-4-5-7-17-12(18)8-11(15-3)9-16-17/h8-9,15H,4-7H2,1-3H3
InChIKeySWZLVHZDTYOZFB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds6

About 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile

2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile (PubChem CID 106714919) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile
PubChem CID106714919
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile
SMILESCNc1cnn(CCCCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C13H20N4O/c1-13(2,10-14)6-4-5-7-17-12(18)8-11(15-3)9-16-17/h8-9,15H,4-7H2,1-3H3
InChIKeySWZLVHZDTYOZFB-UHFFFAOYSA-N
XLogP2.01
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
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-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
5-(4-Amino-6-oxopyridazin-1-yl)pentanenitrile
CID 103218359
4-(4-Amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
CID 103218364
5-Amino-2-(4-methylpentyl)pyridazin-3-one
CID 103218377
5-Amino-2-(2-methylpentyl)pyridazin-3-one
CID 103218396
2-Heptyl-5-(methylamino)pyridazin-3-one
CID 103218448
2-Hexyl-5-(methylamino)pyridazin-3-one
CID 103218449
2-(Cyclopentylmethyl)-5-(methylamino)pyridazin-3-one
CID 103218569
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576
4-[4-(Methylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103218623
5-(Methylamino)-2-pentylpyridazin-3-one
CID 103218631
5-[4-(Methylamino)-6-oxopyridazin-1-yl]pentanenitrile
CID 103218672

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile (CID 106714919) is 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile is CNc1cnn(CCCCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile?
The InChIKey is SWZLVHZDTYOZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2,10-14)6-4-5-7-17-12(18)8-11(15-3)9-16-17/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile?
2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile has a molecular weight of 248.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile is sourced from PubChem (CID 106714919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).