5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile

C15H22N4O — CID 114749570

IUPAC5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2(CCO)CC2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-3-11-12(9-16)14(19-18-13(11)4-2)17-10-15(5-6-15)7-8-20/h20H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyLKZZBFFDCNVJDN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.05
Rot. Bonds7

About 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile (PubChem CID 114749570) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile
PubChem CID114749570
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2(CCO)CC2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-3-11-12(9-16)14(19-18-13(11)4-2)17-10-15(5-6-15)7-8-20/h20H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyLKZZBFFDCNVJDN-UHFFFAOYSA-N
XLogP2.05
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile (CID 114749570) is 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile is CCc1nnc(NCC2(CCO)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile?
The InChIKey is LKZZBFFDCNVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-11-12(9-16)14(19-18-13(11)4-2)17-10-15(5-6-15)7-8-20/h20H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 114749570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).