5-ethanimidoyl-3-ethylimidazol-4-amine

C7H12N4 — CID 137046215

IUPAC5-ethanimidoyl-3-ethylimidazol-4-amine
SMILES[H]/N=C(\C)c1ncn(CC)c1N
InChIInChI=1S/C7H12N4/c1-3-11-4-10-6(5(2)8)7(11)9/h4,8H,3,9H2,1-2H3/b8-5+
InChIKeyPFPWHTMJAPVMIJ-VMPITWQZSA-N
MW152.20 g/mol
LogP0.87
Rot. Bonds2

About 5-ethanimidoyl-3-ethylimidazol-4-amine

5-ethanimidoyl-3-ethylimidazol-4-amine (PubChem CID 137046215) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-ethanimidoyl-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-ethanimidoyl-3-ethylimidazol-4-amine
PubChem CID137046215
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-ethanimidoyl-3-ethylimidazol-4-amine
SMILES[H]/N=C(\C)c1ncn(CC)c1N
InChIInChI=1S/C7H12N4/c1-3-11-4-10-6(5(2)8)7(11)9/h4,8H,3,9H2,1-2H3/b8-5+
InChIKeyPFPWHTMJAPVMIJ-VMPITWQZSA-N
XLogP0.87
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethanimidoyl-3-ethylimidazol-4-amine?
The IUPAC name of 5-ethanimidoyl-3-ethylimidazol-4-amine (CID 137046215) is 5-ethanimidoyl-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-ethanimidoyl-3-ethylimidazol-4-amine?
The canonical SMILES for 5-ethanimidoyl-3-ethylimidazol-4-amine is [H]/N=C(\C)c1ncn(CC)c1N.
What is the InChIKey of 5-ethanimidoyl-3-ethylimidazol-4-amine?
The InChIKey is PFPWHTMJAPVMIJ-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-11-4-10-6(5(2)8)7(11)9/h4,8H,3,9H2,1-2H3/b8-5+.
What are the key properties of 5-ethanimidoyl-3-ethylimidazol-4-amine?
5-ethanimidoyl-3-ethylimidazol-4-amine has a molecular weight of 152.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethanimidoyl-3-ethylimidazol-4-amine is sourced from PubChem (CID 137046215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).