3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C20H24N4O — CID 71887395

IUPAC3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCCC1
InChIInChI=1S/C20H24N4O/c1-14-15(2)23-24-19(16(14)12-21)22-13-20(10-6-7-11-20)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-11,13H2,1-3H3,(H,22,24)
InChIKeyGMNILEBIOVKAOK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.90
Rot. Bonds5

About 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 71887395) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID71887395
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCCC1
InChIInChI=1S/C20H24N4O/c1-14-15(2)23-24-19(16(14)12-21)22-13-20(10-6-7-11-20)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-11,13H2,1-3H3,(H,22,24)
InChIKeyGMNILEBIOVKAOK-UHFFFAOYSA-N
XLogP3.90
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-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 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 71887395) is 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is COc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCCC1.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is GMNILEBIOVKAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-15(2)23-24-19(16(14)12-21)22-13-20(10-6-7-11-20)17-8-4-5-9-18(17)25-3/h4-5,8-9H,6-7,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 71887395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).