4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile

C13H10N6O — CID 622114

IUPAC4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1ccc(OC)cc1
InChIInChI=1S/C13H10N6O/c1-20-9-4-2-8(3-5-9)19-13(17)10(6-14)12(16)11(7-15)18-19/h2-5,17H,16H2,1H3/b17-13+
InChIKeyPRHZESQQQVROQZ-GHRIWEEISA-N
MW266.26 g/mol
LogP0.69
Rot. Bonds2

About 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile

4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile (PubChem CID 622114) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile
PubChem CID622114
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile
SMILES[H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1ccc(OC)cc1
InChIInChI=1S/C13H10N6O/c1-20-9-4-2-8(3-5-9)19-13(17)10(6-14)12(16)11(7-15)18-19/h2-5,17H,16H2,1H3/b17-13+
InChIKeyPRHZESQQQVROQZ-GHRIWEEISA-N
XLogP0.69
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile?
The IUPAC name of 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile (CID 622114) is 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile.
What is the SMILES notation for 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile?
The canonical SMILES for 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile is [H]/N=c1\c(C#N)c(N)c(C#N)nn1-c1ccc(OC)cc1.
What is the InChIKey of 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile?
The InChIKey is PRHZESQQQVROQZ-GHRIWEEISA-N. The full InChI is InChI=1S/C13H10N6O/c1-20-9-4-2-8(3-5-9)19-13(17)10(6-14)12(16)11(7-15)18-19/h2-5,17H,16H2,1H3/b17-13+.
What are the key properties of 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile?
4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile has a molecular weight of 266.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-imino-1-(4-methoxyphenyl)pyridazine-3,5-dicarbonitrile is sourced from PubChem (CID 622114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).