6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile

C13H13N5 — CID 23320785

IUPAC6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile
SMILESCCc1cnccc1-c1cc(C#N)c(NC)nn1
InChIInChI=1S/C13H13N5/c1-3-9-8-16-5-4-11(9)12-6-10(7-14)13(15-2)18-17-12/h4-6,8H,3H2,1-2H3,(H,15,18)
InChIKeyAIMHPQDHNJHHCO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.01
Rot. Bonds3

About 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile

6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile (PubChem CID 23320785) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile
PubChem CID23320785
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile
SMILESCCc1cnccc1-c1cc(C#N)c(NC)nn1
InChIInChI=1S/C13H13N5/c1-3-9-8-16-5-4-11(9)12-6-10(7-14)13(15-2)18-17-12/h4-6,8H,3H2,1-2H3,(H,15,18)
InChIKeyAIMHPQDHNJHHCO-UHFFFAOYSA-N
XLogP2.01
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile?
The IUPAC name of 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile (CID 23320785) is 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile is CCc1cnccc1-c1cc(C#N)c(NC)nn1.
What is the InChIKey of 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile?
The InChIKey is AIMHPQDHNJHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-3-9-8-16-5-4-11(9)12-6-10(7-14)13(15-2)18-17-12/h4-6,8H,3H2,1-2H3,(H,15,18).
What are the key properties of 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile?
6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-pyridinyl)-3-(methylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 23320785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).