2H-pyrazine-1-carboximidamide

C5H8N4 — CID 22608695

IUPAC2H-pyrazine-1-carboximidamide
SMILES[H]/N=C(\N)N1C=CN=CC1
InChIInChI=1S/C5H8N4/c6-5(7)9-3-1-8-2-4-9/h1-3H,4H2,(H3,6,7)
InChIKeyVRXQOUKQXSATBH-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.26
Rot. Bonds

About 2H-pyrazine-1-carboximidamide

2H-pyrazine-1-carboximidamide (PubChem CID 22608695) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2H-pyrazine-1-carboximidamide.

Molecular Properties

Compound Name2H-pyrazine-1-carboximidamide
PubChem CID22608695
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2H-pyrazine-1-carboximidamide
SMILES[H]/N=C(\N)N1C=CN=CC1
InChIInChI=1S/C5H8N4/c6-5(7)9-3-1-8-2-4-9/h1-3H,4H2,(H3,6,7)
InChIKeyVRXQOUKQXSATBH-UHFFFAOYSA-N
XLogP-0.26
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2H-pyrazine-1-carboximidamide?
The IUPAC name of 2H-pyrazine-1-carboximidamide (CID 22608695) is 2H-pyrazine-1-carboximidamide.
What is the SMILES notation for 2H-pyrazine-1-carboximidamide?
The canonical SMILES for 2H-pyrazine-1-carboximidamide is [H]/N=C(\N)N1C=CN=CC1.
What is the InChIKey of 2H-pyrazine-1-carboximidamide?
The InChIKey is VRXQOUKQXSATBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-5(7)9-3-1-8-2-4-9/h1-3H,4H2,(H3,6,7).
What are the key properties of 2H-pyrazine-1-carboximidamide?
2H-pyrazine-1-carboximidamide has a molecular weight of 124.15 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazine-1-carboximidamide is sourced from PubChem (CID 22608695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).