methyl N-cyanopyrazine-2-carboximidate

C7H6N4O — CID 10057818

IUPACmethyl N-cyanopyrazine-2-carboximidate
SMILESCO/C(=N\C#N)c1cnccn1
InChIInChI=1S/C7H6N4O/c1-12-7(11-5-8)6-4-9-2-3-10-6/h2-4H,1H3/b11-7-
InChIKeyRWXJDOXDHNGOIK-XFFZJAGNSA-N
MW162.15 g/mol
LogP0.35
Rot. Bonds1

About methyl N-cyanopyrazine-2-carboximidate

methyl N-cyanopyrazine-2-carboximidate (PubChem CID 10057818) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is methyl N-cyanopyrazine-2-carboximidate.

Molecular Properties

Compound Namemethyl N-cyanopyrazine-2-carboximidate
PubChem CID10057818
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Namemethyl N-cyanopyrazine-2-carboximidate
SMILESCO/C(=N\C#N)c1cnccn1
InChIInChI=1S/C7H6N4O/c1-12-7(11-5-8)6-4-9-2-3-10-6/h2-4H,1H3/b11-7-
InChIKeyRWXJDOXDHNGOIK-XFFZJAGNSA-N
XLogP0.35
TPSA71.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 methyl N-cyanopyrazine-2-carboximidate?
The IUPAC name of methyl N-cyanopyrazine-2-carboximidate (CID 10057818) is methyl N-cyanopyrazine-2-carboximidate.
What is the SMILES notation for methyl N-cyanopyrazine-2-carboximidate?
The canonical SMILES for methyl N-cyanopyrazine-2-carboximidate is CO/C(=N\C#N)c1cnccn1.
What is the InChIKey of methyl N-cyanopyrazine-2-carboximidate?
The InChIKey is RWXJDOXDHNGOIK-XFFZJAGNSA-N. The full InChI is InChI=1S/C7H6N4O/c1-12-7(11-5-8)6-4-9-2-3-10-6/h2-4H,1H3/b11-7-.
What are the key properties of methyl N-cyanopyrazine-2-carboximidate?
methyl N-cyanopyrazine-2-carboximidate has a molecular weight of 162.15 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyanopyrazine-2-carboximidate is sourced from PubChem (CID 10057818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).