3-(prop-2-ynylamino)pyridazine-4-carbonitrile

C8H6N4 — CID 80509420

IUPAC3-(prop-2-ynylamino)pyridazine-4-carbonitrile
SMILESC#CCNc1nnccc1C#N
InChIInChI=1S/C8H6N4/c1-2-4-10-8-7(6-9)3-5-11-12-8/h1,3,5H,4H2,(H,10,12)
InChIKeyJPTZWAYWWTVABR-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.39
Rot. Bonds2

About 3-(prop-2-ynylamino)pyridazine-4-carbonitrile

3-(prop-2-ynylamino)pyridazine-4-carbonitrile (PubChem CID 80509420) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-(prop-2-ynylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(prop-2-ynylamino)pyridazine-4-carbonitrile
PubChem CID80509420
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name3-(prop-2-ynylamino)pyridazine-4-carbonitrile
SMILESC#CCNc1nnccc1C#N
InChIInChI=1S/C8H6N4/c1-2-4-10-8-7(6-9)3-5-11-12-8/h1,3,5H,4H2,(H,10,12)
InChIKeyJPTZWAYWWTVABR-UHFFFAOYSA-N
XLogP0.39
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(prop-2-ynylamino)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-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile
CID 131246897
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 80509197
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
CID 80515387
3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
CID 115356285
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509293
3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
CID 80510566
3-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509844

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(prop-2-ynylamino)pyridazine-4-carbonitrile (CID 80509420) is 3-(prop-2-ynylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(prop-2-ynylamino)pyridazine-4-carbonitrile is C#CCNc1nnccc1C#N.
What is the InChIKey of 3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The InChIKey is JPTZWAYWWTVABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-2-4-10-8-7(6-9)3-5-11-12-8/h1,3,5H,4H2,(H,10,12).
What are the key properties of 3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
3-(prop-2-ynylamino)pyridazine-4-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-ynylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).