6-ethyl-4-hydrazinylquinoline-3-carbonitrile

C12H12N4 — CID 62251966

IUPAC6-ethyl-4-hydrazinylquinoline-3-carbonitrile
SMILESCCc1ccc2ncc(C#N)c(NN)c2c1
InChIInChI=1S/C12H12N4/c1-2-8-3-4-11-10(5-8)12(16-14)9(6-13)7-15-11/h3-5,7H,2,14H2,1H3,(H,15,16)
InChIKeyGJHQFBWIOHHIAR-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.95
Rot. Bonds2

About 6-ethyl-4-hydrazinylquinoline-3-carbonitrile

6-ethyl-4-hydrazinylquinoline-3-carbonitrile (PubChem CID 62251966) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6-ethyl-4-hydrazinylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4-hydrazinylquinoline-3-carbonitrile
PubChem CID62251966
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name6-ethyl-4-hydrazinylquinoline-3-carbonitrile
SMILESCCc1ccc2ncc(C#N)c(NN)c2c1
InChIInChI=1S/C12H12N4/c1-2-8-3-4-11-10(5-8)12(16-14)9(6-13)7-15-11/h3-5,7H,2,14H2,1H3,(H,15,16)
InChIKeyGJHQFBWIOHHIAR-UHFFFAOYSA-N
XLogP1.95
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-ethyl-4-hydrazinylquinoline-3-carbonitrile?
The IUPAC name of 6-ethyl-4-hydrazinylquinoline-3-carbonitrile (CID 62251966) is 6-ethyl-4-hydrazinylquinoline-3-carbonitrile.
What is the SMILES notation for 6-ethyl-4-hydrazinylquinoline-3-carbonitrile?
The canonical SMILES for 6-ethyl-4-hydrazinylquinoline-3-carbonitrile is CCc1ccc2ncc(C#N)c(NN)c2c1.
What is the InChIKey of 6-ethyl-4-hydrazinylquinoline-3-carbonitrile?
The InChIKey is GJHQFBWIOHHIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-8-3-4-11-10(5-8)12(16-14)9(6-13)7-15-11/h3-5,7H,2,14H2,1H3,(H,15,16).
What are the key properties of 6-ethyl-4-hydrazinylquinoline-3-carbonitrile?
6-ethyl-4-hydrazinylquinoline-3-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-hydrazinylquinoline-3-carbonitrile is sourced from PubChem (CID 62251966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).