ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate

C9H14N4O — CID 89167940

IUPACethyl N'-(6-ethylpyrazin-2-yl)carbamimidate
SMILESCCO/C(N)=N\c1cncc(CC)n1
InChIInChI=1S/C9H14N4O/c1-3-7-5-11-6-8(12-7)13-9(10)14-4-2/h5-6H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyPSNRDQJIDKMCLR-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.02
Rot. Bonds3

About ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate

ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate (PubChem CID 89167940) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate.

Molecular Properties

Compound Nameethyl N'-(6-ethylpyrazin-2-yl)carbamimidate
PubChem CID89167940
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Nameethyl N'-(6-ethylpyrazin-2-yl)carbamimidate
SMILESCCO/C(N)=N\c1cncc(CC)n1
InChIInChI=1S/C9H14N4O/c1-3-7-5-11-6-8(12-7)13-9(10)14-4-2/h5-6H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyPSNRDQJIDKMCLR-UHFFFAOYSA-N
XLogP1.02
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate?
The IUPAC name of ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate (CID 89167940) is ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate.
What is the SMILES notation for ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate?
The canonical SMILES for ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate is CCO/C(N)=N\c1cncc(CC)n1.
What is the InChIKey of ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate?
The InChIKey is PSNRDQJIDKMCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-7-5-11-6-8(12-7)13-9(10)14-4-2/h5-6H,3-4H2,1-2H3,(H2,10,12,13).
What are the key properties of ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate?
ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate has a molecular weight of 194.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-(6-ethylpyrazin-2-yl)carbamimidate is sourced from PubChem (CID 89167940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).