4-ethyl-N-hydrazinylidenebenzenecarboximidamide

C9H12N4 — CID 89361259

IUPAC4-ethyl-N-hydrazinylidenebenzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc(CC)cc1
InChIInChI=1S/C9H12N4/c1-2-7-3-5-8(6-4-7)9(10)12-13-11/h3-6H,2H2,1H3,(H3,10,11,12)
InChIKeyLNXQHMHJJDCBFG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.90
Rot. Bonds2

About 4-ethyl-N-hydrazinylidenebenzenecarboximidamide

4-ethyl-N-hydrazinylidenebenzenecarboximidamide (PubChem CID 89361259) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-ethyl-N-hydrazinylidenebenzenecarboximidamide.

Molecular Properties

Compound Name4-ethyl-N-hydrazinylidenebenzenecarboximidamide
PubChem CID89361259
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name4-ethyl-N-hydrazinylidenebenzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc(CC)cc1
InChIInChI=1S/C9H12N4/c1-2-7-3-5-8(6-4-7)9(10)12-13-11/h3-6H,2H2,1H3,(H3,10,11,12)
InChIKeyLNXQHMHJJDCBFG-UHFFFAOYSA-N
XLogP1.90
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-hydrazinylidenebenzenecarboximidamide?
The IUPAC name of 4-ethyl-N-hydrazinylidenebenzenecarboximidamide (CID 89361259) is 4-ethyl-N-hydrazinylidenebenzenecarboximidamide.
What is the SMILES notation for 4-ethyl-N-hydrazinylidenebenzenecarboximidamide?
The canonical SMILES for 4-ethyl-N-hydrazinylidenebenzenecarboximidamide is [H]/N=C(\N=N\N)c1ccc(CC)cc1.
What is the InChIKey of 4-ethyl-N-hydrazinylidenebenzenecarboximidamide?
The InChIKey is LNXQHMHJJDCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-7-3-5-8(6-4-7)9(10)12-13-11/h3-6H,2H2,1H3,(H3,10,11,12).
What are the key properties of 4-ethyl-N-hydrazinylidenebenzenecarboximidamide?
4-ethyl-N-hydrazinylidenebenzenecarboximidamide has a molecular weight of 176.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-hydrazinylidenebenzenecarboximidamide is sourced from PubChem (CID 89361259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).