5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile

C16H17FN4 — CID 80504750

IUPAC5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)c2ccccc2F)c(C#N)c1CC
InChIInChI=1S/C16H17FN4/c1-4-11-12(10-18)16(20-19-14(11)5-2)21(3)15-9-7-6-8-13(15)17/h6-9H,4-5H2,1-3H3
InChIKeyXRJCMIIUZSQDRL-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.38
Rot. Bonds4

About 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile

5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile (PubChem CID 80504750) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile
PubChem CID80504750
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)c2ccccc2F)c(C#N)c1CC
InChIInChI=1S/C16H17FN4/c1-4-11-12(10-18)16(20-19-14(11)5-2)21(3)15-9-7-6-8-13(15)17/h6-9H,4-5H2,1-3H3
InChIKeyXRJCMIIUZSQDRL-UHFFFAOYSA-N
XLogP3.38
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile (CID 80504750) is 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile is CCc1nnc(N(C)c2ccccc2F)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile?
The InChIKey is XRJCMIIUZSQDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-4-11-12(10-18)16(20-19-14(11)5-2)21(3)15-9-7-6-8-13(15)17/h6-9H,4-5H2,1-3H3.
What are the key properties of 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile has a molecular weight of 284.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80504750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).