2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile

C13H13N5 — CID 80926117

IUPAC2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile
SMILESCN(c1cccc(NN)n1)c1ccccc1C#N
InChIInChI=1S/C13H13N5/c1-18(11-6-3-2-5-10(11)9-14)13-8-4-7-12(16-13)17-15/h2-8H,15H2,1H3,(H,16,17)
InChIKeyWRFYMYIHISSWFJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.01
Rot. Bonds3

About 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile

2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile (PubChem CID 80926117) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile
PubChem CID80926117
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile
SMILESCN(c1cccc(NN)n1)c1ccccc1C#N
InChIInChI=1S/C13H13N5/c1-18(11-6-3-2-5-10(11)9-14)13-8-4-7-12(16-13)17-15/h2-8H,15H2,1H3,(H,16,17)
InChIKeyWRFYMYIHISSWFJ-UHFFFAOYSA-N
XLogP2.01
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile?
The IUPAC name of 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile (CID 80926117) is 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile.
What is the SMILES notation for 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile?
The canonical SMILES for 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile is CN(c1cccc(NN)n1)c1ccccc1C#N.
What is the InChIKey of 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile?
The InChIKey is WRFYMYIHISSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18(11-6-3-2-5-10(11)9-14)13-8-4-7-12(16-13)17-15/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile?
2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile is sourced from PubChem (CID 80926117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).