2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile

C14H22N4O — CID 103221650

IUPAC2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile
SMILESCC(C)CNc1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C14H22N4O/c1-11(2)8-16-12-7-13(19)18(17-9-12)6-5-14(3,4)10-15/h7,9,11,16H,5-6,8H2,1-4H3
InChIKeyGAMHNCGFRNMIDE-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.25
Rot. Bonds6

About 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile

2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile (PubChem CID 103221650) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile
PubChem CID103221650
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile
SMILESCC(C)CNc1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C14H22N4O/c1-11(2)8-16-12-7-13(19)18(17-9-12)6-5-14(3,4)10-15/h7,9,11,16H,5-6,8H2,1-4H3
InChIKeyGAMHNCGFRNMIDE-UHFFFAOYSA-N
XLogP2.25
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile (CID 103221650) is 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile is CC(C)CNc1cnn(CCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile?
The InChIKey is GAMHNCGFRNMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)8-16-12-7-13(19)18(17-9-12)6-5-14(3,4)10-15/h7,9,11,16H,5-6,8H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile?
2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile has a molecular weight of 262.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile is sourced from PubChem (CID 103221650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).