5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile

C20H24N4O — CID 71937497

IUPAC5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile
SMILESCc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCOCC1
InChIInChI=1S/C20H24N4O/c1-14-6-4-5-7-18(14)20(8-10-25-11-9-20)13-22-19-17(12-21)15(2)16(3)23-24-19/h4-7H,8-11,13H2,1-3H3,(H,22,24)
InChIKeySHNSNJLOJOENRH-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.43
Rot. Bonds4

About 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile (PubChem CID 71937497) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile
PubChem CID71937497
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile
SMILESCc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCOCC1
InChIInChI=1S/C20H24N4O/c1-14-6-4-5-7-18(14)20(8-10-25-11-9-20)13-22-19-17(12-21)15(2)16(3)23-24-19/h4-7H,8-11,13H2,1-3H3,(H,22,24)
InChIKeySHNSNJLOJOENRH-UHFFFAOYSA-N
XLogP3.43
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]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-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile (CID 71937497) is 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile is Cc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCOCC1.
What is the InChIKey of 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile?
The InChIKey is SHNSNJLOJOENRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-6-4-5-7-18(14)20(8-10-25-11-9-20)13-22-19-17(12-21)15(2)16(3)23-24-19/h4-7H,8-11,13H2,1-3H3,(H,22,24).
What are the key properties of 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 71937497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).