5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile

C15H22N4O — CID 80509599

IUPAC5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCCC2OC)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-4-10-11(9-16)15(19-18-12(10)5-2)17-13-7-6-8-14(13)20-3/h13-14H,4-8H2,1-3H3,(H,17,19)
InChIKeyNDRCIAHBKQWWIU-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.45
Rot. Bonds5

About 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile (PubChem CID 80509599) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile
PubChem CID80509599
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCCC2OC)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-4-10-11(9-16)15(19-18-12(10)5-2)17-13-7-6-8-14(13)20-3/h13-14H,4-8H2,1-3H3,(H,17,19)
InChIKeyNDRCIAHBKQWWIU-UHFFFAOYSA-N
XLogP2.45
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile (CID 80509599) is 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile is CCc1nnc(NC2CCCC2OC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile?
The InChIKey is NDRCIAHBKQWWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-10-11(9-16)15(19-18-12(10)5-2)17-13-7-6-8-14(13)20-3/h13-14H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).