1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile

C18H14FN5O — CID 11267658

IUPAC1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile
SMILESCCn1nc(-c2ccc(F)cc2)c(C#N)c(Nc2cccnc2)c1=O
InChIInChI=1S/C18H14FN5O/c1-2-24-18(25)17(22-14-4-3-9-21-11-14)15(10-20)16(23-24)12-5-7-13(19)8-6-12/h3-9,11,22H,2H2,1H3
InChIKeyPZTFSZQPKDLQDN-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.08
Rot. Bonds4

About 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile

1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile (PubChem CID 11267658) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile
PubChem CID11267658
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile
SMILESCCn1nc(-c2ccc(F)cc2)c(C#N)c(Nc2cccnc2)c1=O
InChIInChI=1S/C18H14FN5O/c1-2-24-18(25)17(22-14-4-3-9-21-11-14)15(10-20)16(23-24)12-5-7-13(19)8-6-12/h3-9,11,22H,2H2,1H3
InChIKeyPZTFSZQPKDLQDN-UHFFFAOYSA-N
XLogP3.08
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile (CID 11267658) is 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile is CCn1nc(-c2ccc(F)cc2)c(C#N)c(Nc2cccnc2)c1=O.
What is the InChIKey of 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile?
The InChIKey is PZTFSZQPKDLQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-2-24-18(25)17(22-14-4-3-9-21-11-14)15(10-20)16(23-24)12-5-7-13(19)8-6-12/h3-9,11,22H,2H2,1H3.
What are the key properties of 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile?
1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile has a molecular weight of 335.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluorophenyl)-6-oxo-5-(pyridin-3-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 11267658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).