3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile

C14H13N5 — CID 105357834

IUPAC3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C14H13N5/c15-6-11-3-4-18-19-14(11)17-7-10-1-2-12-8-16-9-13(12)5-10/h1-5,16H,7-9H2,(H,17,19)
InChIKeyBFVDDMXKXCDUAP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.56
Rot. Bonds3

About 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile

3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 105357834) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID105357834
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C14H13N5/c15-6-11-3-4-18-19-14(11)17-7-10-1-2-12-8-16-9-13(12)5-10/h1-5,16H,7-9H2,(H,17,19)
InChIKeyBFVDDMXKXCDUAP-UHFFFAOYSA-N
XLogP1.56
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)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-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 105358018
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509293
5-bromo-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzonitrile
CID 105357850
4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzoic acid
CID 80507966
2-bromo-4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-3-fluorobenzonitrile
CID 107537786
4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-3,5-difluorobenzonitrile
CID 105358064
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
N-butyl-4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzamide
CID 136574494
3-[(2-bromophenyl)methylamino]pyridazine-4-carbonitrile
CID 80510383
3-(furan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80508635
3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbonitrile
CID 80509682
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile (CID 105357834) is 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCc1ccc2c(c1)CNC2.
What is the InChIKey of 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is BFVDDMXKXCDUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-6-11-3-4-18-19-14(11)17-7-10-1-2-12-8-16-9-13(12)5-10/h1-5,16H,7-9H2,(H,17,19).
What are the key properties of 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile?
3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 105357834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).