6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile

C18H18N4 — CID 133444389

IUPAC6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile
SMILESCCc1ccc(C2=CCN(c3ccc(C#N)nn3)CC2)cc1
InChIInChI=1S/C18H18N4/c1-2-14-3-5-15(6-4-14)16-9-11-22(12-10-16)18-8-7-17(13-19)20-21-18/h3-9H,2,10-12H2,1H3
InChIKeySUYHZBVANANSTA-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.20
Rot. Bonds3

About 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile

6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133444389) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile
PubChem CID133444389
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile
SMILESCCc1ccc(C2=CCN(c3ccc(C#N)nn3)CC2)cc1
InChIInChI=1S/C18H18N4/c1-2-14-3-5-15(6-4-14)16-9-11-22(12-10-16)18-8-7-17(13-19)20-21-18/h3-9H,2,10-12H2,1H3
InChIKeySUYHZBVANANSTA-UHFFFAOYSA-N
XLogP3.20
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile (CID 133444389) is 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile is CCc1ccc(C2=CCN(c3ccc(C#N)nn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is SUYHZBVANANSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-14-3-5-15(6-4-14)16-9-11-22(12-10-16)18-8-7-17(13-19)20-21-18/h3-9H,2,10-12H2,1H3.
What are the key properties of 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile?
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133444389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).