1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile

C11H9N7 — CID 112595414

IUPAC1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2ccc(NN)nc2)c1C#N
InChIInChI=1S/C11H9N7/c12-3-9-10(4-13)18(7-16-9)6-8-1-2-11(17-14)15-5-8/h1-2,5,7H,6,14H2,(H,15,17)
InChIKeyLSDXWXZSUBFHPL-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.36
Rot. Bonds3

About 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile

1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595414) has the molecular formula C11H9N7 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile
PubChem CID112595414
Molecular FormulaC11H9N7
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2ccc(NN)nc2)c1C#N
InChIInChI=1S/C11H9N7/c12-3-9-10(4-13)18(7-16-9)6-8-1-2-11(17-14)15-5-8/h1-2,5,7H,6,14H2,(H,15,17)
InChIKeyLSDXWXZSUBFHPL-UHFFFAOYSA-N
XLogP0.36
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile (CID 112595414) is 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile is N#Cc1ncn(Cc2ccc(NN)nc2)c1C#N.
What is the InChIKey of 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is LSDXWXZSUBFHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7/c12-3-9-10(4-13)18(7-16-9)6-8-1-2-11(17-14)15-5-8/h1-2,5,7H,6,14H2,(H,15,17).
What are the key properties of 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile?
1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 239.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-3-pyridinyl)methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).