3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile

C15H23N5 — CID 80514923

IUPAC3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(c1nnc(C)c(C)c1C#N)C1CCCC1CN
InChIInChI=1S/C15H23N5/c1-4-20(14-7-5-6-12(14)8-16)15-13(9-17)10(2)11(3)18-19-15/h12,14H,4-8,16H2,1-3H3
InChIKeyJWAKFZBUGGJJHE-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.92
Rot. Bonds4

About 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 80514923) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID80514923
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(c1nnc(C)c(C)c1C#N)C1CCCC1CN
InChIInChI=1S/C15H23N5/c1-4-20(14-7-5-6-12(14)8-16)15-13(9-17)10(2)11(3)18-19-15/h12,14H,4-8,16H2,1-3H3
InChIKeyJWAKFZBUGGJJHE-UHFFFAOYSA-N
XLogP1.92
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-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-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 80514923) is 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is CCN(c1nnc(C)c(C)c1C#N)C1CCCC1CN.
What is the InChIKey of 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is JWAKFZBUGGJJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-20(14-7-5-6-12(14)8-16)15-13(9-17)10(2)11(3)18-19-15/h12,14H,4-8,16H2,1-3H3.
What are the key properties of 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80514923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).