1-ethanimidoylpyrazin-2-imine

C6H8N4 — CID 70237687

IUPAC1-ethanimidoylpyrazin-2-imine
SMILES[H]/N=C(\C)n1ccnc/c1=N\[H]
InChIInChI=1S/C6H8N4/c1-5(7)10-3-2-9-4-6(10)8/h2-4,7-8H,1H3/b7-5+,8-6+
InChIKeyUCUFQPKWRPZZJE-KQQUZDAGSA-N
MW136.16 g/mol
LogP0.21
Rot. Bonds

About 1-ethanimidoylpyrazin-2-imine

1-ethanimidoylpyrazin-2-imine (PubChem CID 70237687) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 1-ethanimidoylpyrazin-2-imine.

Molecular Properties

Compound Name1-ethanimidoylpyrazin-2-imine
PubChem CID70237687
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name1-ethanimidoylpyrazin-2-imine
SMILES[H]/N=C(\C)n1ccnc/c1=N\[H]
InChIInChI=1S/C6H8N4/c1-5(7)10-3-2-9-4-6(10)8/h2-4,7-8H,1H3/b7-5+,8-6+
InChIKeyUCUFQPKWRPZZJE-KQQUZDAGSA-N
XLogP0.21
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
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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Related Compounds

1-Methylpyrazin-2-imine;hydrobromide
CID 90654304
1-Methylpyrazin-2-imine
CID 90654305
1-(2,2,2-Trifluoroethanimidoyl)pyrazin-2-imine
CID 143892216
1-(2,2-Difluoroethanimidoyl)pyrazin-2-imine
CID 142362368
2H-pyrazine-1-carboximidamide;hydrochloride
CID 22608694
2H-pyrazine-1-carboximidamide
CID 22608695
1-Propanimidoylpyrazin-2-imine
CID 68218991
(1-Methylpyrazin-2-ylidene)hydrazine
CID 70152514
(Z)-(1-methylpyrazin-2-ylidene)hydrazine
CID 88179492
N,N-bis(ethenyl)-2-methyliminoethanimidamide
CID 130249000
1-Methanimidoylpyrazin-2-imine
CID 132127989
N-ethenyl-N-ethylethanimidamide
CID 134603376

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoylpyrazin-2-imine?
The IUPAC name of 1-ethanimidoylpyrazin-2-imine (CID 70237687) is 1-ethanimidoylpyrazin-2-imine.
What is the SMILES notation for 1-ethanimidoylpyrazin-2-imine?
The canonical SMILES for 1-ethanimidoylpyrazin-2-imine is [H]/N=C(\C)n1ccnc/c1=N\[H].
What is the InChIKey of 1-ethanimidoylpyrazin-2-imine?
The InChIKey is UCUFQPKWRPZZJE-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H8N4/c1-5(7)10-3-2-9-4-6(10)8/h2-4,7-8H,1H3/b7-5+,8-6+.
What are the key properties of 1-ethanimidoylpyrazin-2-imine?
1-ethanimidoylpyrazin-2-imine has a molecular weight of 136.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoylpyrazin-2-imine is sourced from PubChem (CID 70237687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).