methyl 3-methylpyrazine-2-carboximidate

C7H9N3O — CID 152584637

IUPACmethyl 3-methylpyrazine-2-carboximidate
SMILES[H]/N=C(\OC)c1nccnc1C
InChIInChI=1S/C7H9N3O/c1-5-6(7(8)11-2)10-4-3-9-5/h3-4,8H,1-2H3/b8-7-
InChIKeyYUEWIGUZHGWFJG-FPLPWBNLSA-N
MW151.17 g/mol
LogP0.76
Rot. Bonds1

About methyl 3-methylpyrazine-2-carboximidate

methyl 3-methylpyrazine-2-carboximidate (PubChem CID 152584637) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is methyl 3-methylpyrazine-2-carboximidate.

Molecular Properties

Compound Namemethyl 3-methylpyrazine-2-carboximidate
PubChem CID152584637
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Namemethyl 3-methylpyrazine-2-carboximidate
SMILES[H]/N=C(\OC)c1nccnc1C
InChIInChI=1S/C7H9N3O/c1-5-6(7(8)11-2)10-4-3-9-5/h3-4,8H,1-2H3/b8-7-
InChIKeyYUEWIGUZHGWFJG-FPLPWBNLSA-N
XLogP0.76
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 3-methylpyrazine-2-carboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-methylpyrazine-2-carboximidate?
The IUPAC name of methyl 3-methylpyrazine-2-carboximidate (CID 152584637) is methyl 3-methylpyrazine-2-carboximidate.
What is the SMILES notation for methyl 3-methylpyrazine-2-carboximidate?
The canonical SMILES for methyl 3-methylpyrazine-2-carboximidate is [H]/N=C(\OC)c1nccnc1C.
What is the InChIKey of methyl 3-methylpyrazine-2-carboximidate?
The InChIKey is YUEWIGUZHGWFJG-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5-6(7(8)11-2)10-4-3-9-5/h3-4,8H,1-2H3/b8-7-.
What are the key properties of methyl 3-methylpyrazine-2-carboximidate?
methyl 3-methylpyrazine-2-carboximidate has a molecular weight of 151.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylpyrazine-2-carboximidate is sourced from PubChem (CID 152584637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).