2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile

C11H15N3O — CID 65257208

IUPAC2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCn1ncccc1=O
InChIInChI=1S/C11H15N3O/c1-11(2,9-12)6-4-8-14-10(15)5-3-7-13-14/h3,5,7H,4,6,8H2,1-2H3
InChIKeyGWDKFEJMBFCKQM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds4

About 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile

2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile (PubChem CID 65257208) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile
PubChem CID65257208
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCn1ncccc1=O
InChIInChI=1S/C11H15N3O/c1-11(2,9-12)6-4-8-14-10(15)5-3-7-13-14/h3,5,7H,4,6,8H2,1-2H3
InChIKeyGWDKFEJMBFCKQM-UHFFFAOYSA-N
XLogP1.57
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-(6-oxopyridazin-1-yl)propanenitrile
CID 12787609
2-Pentylpyridazin-3-one
CID 69248716
4-(6-Oxopyridazin-1-yl)butanenitrile
CID 62849602
5-(6-Oxopyridazin-1-yl)pentanenitrile
CID 62850853
2-(5-Amino-4,4-dimethylpentyl)pyridazin-3-one
CID 65255949
2,2-Dimethyl-4-(6-oxopyridazin-1-yl)butanenitrile
CID 65256913
2,2-Dimethyl-5-(3-methyl-6-oxopyridazin-1-yl)pentanenitrile
CID 65257261
2-[1-[(6-Oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65492606
5-(4-Methyl-6-oxopyridazin-1-yl)pentanenitrile
CID 106548667
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile
CID 106548668
2,2-Dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile
CID 106548685
2-[1-[(4-Methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 106548695

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile (CID 65257208) is 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile is CC(C)(C#N)CCCn1ncccc1=O.
What is the InChIKey of 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile?
The InChIKey is GWDKFEJMBFCKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,9-12)6-4-8-14-10(15)5-3-7-13-14/h3,5,7H,4,6,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile?
2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile is sourced from PubChem (CID 65257208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).