5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile

C14H14N4O — CID 75539617

IUPAC5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile
SMILESCCc1nnc(Oc2cccnc2)c(C#N)c1CC
InChIInChI=1S/C14H14N4O/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-10-6-5-7-16-9-10/h5-7,9H,3-4H2,1-2H3
InChIKeyZTORKIVYPZHTIV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.66
Rot. Bonds4

About 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile

5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile (PubChem CID 75539617) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile
PubChem CID75539617
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile
SMILESCCc1nnc(Oc2cccnc2)c(C#N)c1CC
InChIInChI=1S/C14H14N4O/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-10-6-5-7-16-9-10/h5-7,9H,3-4H2,1-2H3
InChIKeyZTORKIVYPZHTIV-UHFFFAOYSA-N
XLogP2.66
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile (CID 75539617) is 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile is CCc1nnc(Oc2cccnc2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile?
The InChIKey is ZTORKIVYPZHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-11-12(8-15)14(18-17-13(11)4-2)19-10-6-5-7-16-9-10/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile?
5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile is sourced from PubChem (CID 75539617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).