3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile

C13H13N5 — CID 80510544

IUPAC3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile
SMILESCN(CCc1ccncc1)c1nnccc1C#N
InChIInChI=1S/C13H13N5/c1-18(9-5-11-2-6-15-7-3-11)13-12(10-14)4-8-16-17-13/h2-4,6-8H,5,9H2,1H3
InChIKeyPXTAPKBADAATLG-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.42
Rot. Bonds4

About 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile

3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile (PubChem CID 80510544) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile
PubChem CID80510544
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile
SMILESCN(CCc1ccncc1)c1nnccc1C#N
InChIInChI=1S/C13H13N5/c1-18(9-5-11-2-6-15-7-3-11)13-12(10-14)4-8-16-17-13/h2-4,6-8H,5,9H2,1H3
InChIKeyPXTAPKBADAATLG-UHFFFAOYSA-N
XLogP1.42
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[methyl(2-pyridin-4-ylethyl)amino]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

Related Compounds

3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide
CID 106915460
3-(dipropylamino)pyridazine-4-carbonitrile
CID 80508670
4-acetyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzonitrile
CID 133442936
3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
CID 80510429
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile
CID 80510431
3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80510270
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911
N,3,6-trimethyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133468986
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridazine-4-carbonitrile
CID 80509898
3-bromo-4-[methyl(2-pyridin-4-ylethyl)amino]benzonitrile
CID 82713869
2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 55207049

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile (CID 80510544) is 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile is CN(CCc1ccncc1)c1nnccc1C#N.
What is the InChIKey of 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is PXTAPKBADAATLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18(9-5-11-2-6-15-7-3-11)13-12(10-14)4-8-16-17-13/h2-4,6-8H,5,9H2,1H3.
What are the key properties of 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile?
3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).