4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile

C13H21N5O — CID 103223472

IUPAC4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
SMILESCN(CCN)c1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C13H21N5O/c1-13(2,10-15)4-6-18-12(19)8-11(9-16-18)17(3)7-5-14/h8-9H,4-7,14H2,1-3H3
InChIKeyAKDNHIZAWGECIX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.58
Rot. Bonds6

About 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile

4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 103223472) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID103223472
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
SMILESCN(CCN)c1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C13H21N5O/c1-13(2,10-15)4-6-18-12(19)8-11(9-16-18)17(3)7-5-14/h8-9H,4-7,14H2,1-3H3
InChIKeyAKDNHIZAWGECIX-UHFFFAOYSA-N
XLogP0.58
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
4-(4-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218325
4-(4-Amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
CID 103218364
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576
4-[4-(Methylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103218623
5-[4-(Methylamino)-6-oxopyridazin-1-yl]pentanenitrile
CID 103218672
2,2-Dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103218680
2-[4-(Methylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103218740
2-(3,3-Dimethylbutyl)-5-(ethylamino)pyridazin-3-one
CID 103219009
4-[4-(Ethylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103219054
5-[4-(Ethylamino)-6-oxopyridazin-1-yl]pentanenitrile
CID 103219109
4-[4-(Ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 103219121

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile (CID 103223472) is 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile is CN(CCN)c1cnn(CCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is AKDNHIZAWGECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-13(2,10-15)4-6-18-12(19)8-11(9-16-18)17(3)7-5-14/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 263.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 103223472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).