5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile

C14H19N7 — CID 80504752

IUPAC5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)c2nncn2C)c(C#N)c1CC
InChIInChI=1S/C14H19N7/c1-5-10-11(7-15)13(19-18-12(10)6-2)17-9(3)14-20-16-8-21(14)4/h8-9H,5-6H2,1-4H3,(H,17,19)
InChIKeyJKJQGZGYOUCZOU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.77
Rot. Bonds5

About 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 80504752) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile
PubChem CID80504752
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)c2nncn2C)c(C#N)c1CC
InChIInChI=1S/C14H19N7/c1-5-10-11(7-15)13(19-18-12(10)6-2)17-9(3)14-20-16-8-21(14)4/h8-9H,5-6H2,1-4H3,(H,17,19)
InChIKeyJKJQGZGYOUCZOU-UHFFFAOYSA-N
XLogP1.77
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile (CID 80504752) is 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile is CCc1nnc(NC(C)c2nncn2C)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is JKJQGZGYOUCZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-5-10-11(7-15)13(19-18-12(10)6-2)17-9(3)14-20-16-8-21(14)4/h8-9H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 285.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80504752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).