3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile

C9H10N4 — CID 2323327

IUPAC3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile
SMILESN#CCCNN=Cc1ccncc1
InChIInChI=1S/C9H10N4/c10-4-1-5-12-13-8-9-2-6-11-7-3-9/h2-3,6-8,12H,1,5H2
InChIKeyYRIGOFKRUAXIRU-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.92
Rot. Bonds4

About 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile

3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile (PubChem CID 2323327) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile.

Molecular Properties

Compound Name3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile
PubChem CID2323327
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile
SMILESN#CCCNN=Cc1ccncc1
InChIInChI=1S/C9H10N4/c10-4-1-5-12-13-8-9-2-6-11-7-3-9/h2-3,6-8,12H,1,5H2
InChIKeyYRIGOFKRUAXIRU-UHFFFAOYSA-N
XLogP0.92
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile?
The IUPAC name of 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile (CID 2323327) is 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile.
What is the SMILES notation for 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile?
The canonical SMILES for 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile is N#CCCNN=Cc1ccncc1.
What is the InChIKey of 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile?
The InChIKey is YRIGOFKRUAXIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-4-1-5-12-13-8-9-2-6-11-7-3-9/h2-3,6-8,12H,1,5H2.
What are the key properties of 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile?
3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile has a molecular weight of 174.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile is sourced from PubChem (CID 2323327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).