methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium

C7H8N5O+ — CID 143174274

IUPACmethylimino-(5-methylpyrazine-2-carbonyl)iminoazanium
SMILESCN=[N+]=NC(=O)c1cnc(C)cn1
InChIInChI=1S/C7H8N5O/c1-5-3-10-6(4-9-5)7(13)11-12-8-2/h3-4H,1-2H3/q+1
InChIKeyHUVAYFCGGVEFCR-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.53
Rot. Bonds1

About methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium

methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium (PubChem CID 143174274) has the molecular formula C7H8N5O+ and a molecular weight of 178.17 g/mol. Its IUPAC name is methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium.

Molecular Properties

Compound Namemethylimino-(5-methylpyrazine-2-carbonyl)iminoazanium
PubChem CID143174274
Molecular FormulaC7H8N5O+
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC Namemethylimino-(5-methylpyrazine-2-carbonyl)iminoazanium
SMILESCN=[N+]=NC(=O)c1cnc(C)cn1
InChIInChI=1S/C7H8N5O/c1-5-3-10-6(4-9-5)7(13)11-12-8-2/h3-4H,1-2H3/q+1
InChIKeyHUVAYFCGGVEFCR-UHFFFAOYSA-N
XLogP0.53
TPSA81.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium?
The IUPAC name of methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium (CID 143174274) is methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium.
What is the SMILES notation for methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium?
The canonical SMILES for methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium is CN=[N+]=NC(=O)c1cnc(C)cn1.
What is the InChIKey of methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium?
The InChIKey is HUVAYFCGGVEFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N5O/c1-5-3-10-6(4-9-5)7(13)11-12-8-2/h3-4H,1-2H3/q+1.
What are the key properties of methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium?
methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium has a molecular weight of 178.17 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium is sourced from PubChem (CID 143174274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).