4-ethyl-1,2-dihydropyrazin-3-imine

C6H11N3 — CID 170025251

IUPAC4-ethyl-1,2-dihydropyrazin-3-imine
SMILES[H]/N=C1\CNC=CN1CC
InChIInChI=1S/C6H11N3/c1-2-9-4-3-8-5-6(9)7/h3-4,7-8H,2,5H2,1H3/b7-6+
InChIKeyMXPLIMPRZBSVPH-VOTSOKGWSA-N
MW125.17 g/mol
LogP0.36
Rot. Bonds1

About 4-ethyl-1,2-dihydropyrazin-3-imine

4-ethyl-1,2-dihydropyrazin-3-imine (PubChem CID 170025251) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethyl-1,2-dihydropyrazin-3-imine.

Molecular Properties

Compound Name4-ethyl-1,2-dihydropyrazin-3-imine
PubChem CID170025251
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-ethyl-1,2-dihydropyrazin-3-imine
SMILES[H]/N=C1\CNC=CN1CC
InChIInChI=1S/C6H11N3/c1-2-9-4-3-8-5-6(9)7/h3-4,7-8H,2,5H2,1H3/b7-6+
InChIKeyMXPLIMPRZBSVPH-VOTSOKGWSA-N
XLogP0.36
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-ethyl-1,2-dihydropyrazin-3-imine?
The IUPAC name of 4-ethyl-1,2-dihydropyrazin-3-imine (CID 170025251) is 4-ethyl-1,2-dihydropyrazin-3-imine.
What is the SMILES notation for 4-ethyl-1,2-dihydropyrazin-3-imine?
The canonical SMILES for 4-ethyl-1,2-dihydropyrazin-3-imine is [H]/N=C1\CNC=CN1CC.
What is the InChIKey of 4-ethyl-1,2-dihydropyrazin-3-imine?
The InChIKey is MXPLIMPRZBSVPH-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-9-4-3-8-5-6(9)7/h3-4,7-8H,2,5H2,1H3/b7-6+.
What are the key properties of 4-ethyl-1,2-dihydropyrazin-3-imine?
4-ethyl-1,2-dihydropyrazin-3-imine has a molecular weight of 125.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-dihydropyrazin-3-imine is sourced from PubChem (CID 170025251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).