ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide

C10H19N5 — CID 91327591

IUPACethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide
SMILESCC.CC.[H]/N=C/c1cncc(/N=C/N)n1
InChIInChI=1S/C6H7N5.2C2H6/c7-1-5-2-9-3-6(11-5)10-4-8;2*1-2/h1-4,7H,(H2,8,10,11);2*1-2H3/b7-1+;;
InChIKeyJUSUCQMKMGXLFL-DPBOPSLFSA-N
MW209.30 g/mol
LogP2.15
Rot. Bonds2

About ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide

ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide (PubChem CID 91327591) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide.

Molecular Properties

Compound Nameethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide
PubChem CID91327591
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Nameethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide
SMILESCC.CC.[H]/N=C/c1cncc(/N=C/N)n1
InChIInChI=1S/C6H7N5.2C2H6/c7-1-5-2-9-3-6(11-5)10-4-8;2*1-2/h1-4,7H,(H2,8,10,11);2*1-2H3/b7-1+;;
InChIKeyJUSUCQMKMGXLFL-DPBOPSLFSA-N
XLogP2.15
TPSA88.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide?
The IUPAC name of ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide (CID 91327591) is ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide.
What is the SMILES notation for ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide?
The canonical SMILES for ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide is CC.CC.[H]/N=C/c1cncc(/N=C/N)n1.
What is the InChIKey of ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide?
The InChIKey is JUSUCQMKMGXLFL-DPBOPSLFSA-N. The full InChI is InChI=1S/C6H7N5.2C2H6/c7-1-5-2-9-3-6(11-5)10-4-8;2*1-2/h1-4,7H,(H2,8,10,11);2*1-2H3/b7-1+;;.
What are the key properties of ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide?
ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide has a molecular weight of 209.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(6-methanimidoylpyrazin-2-yl)methanimidamide is sourced from PubChem (CID 91327591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).