N-(3-methoxy-5-methylpyrazin-2-yl)formamide

C7H9N3O2 — CID 91597078

IUPACN-(3-methoxy-5-methylpyrazin-2-yl)formamide
SMILESCOc1nc(C)cnc1NC=O
InChIInChI=1S/C7H9N3O2/c1-5-3-8-6(9-4-11)7(10-5)12-2/h3-4H,1-2H3,(H,8,9,11)
InChIKeyVJXCEGKVKNDESE-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.36
Rot. Bonds3

About N-(3-methoxy-5-methylpyrazin-2-yl)formamide

N-(3-methoxy-5-methylpyrazin-2-yl)formamide (PubChem CID 91597078) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(3-methoxy-5-methylpyrazin-2-yl)formamide.

Molecular Properties

Compound NameN-(3-methoxy-5-methylpyrazin-2-yl)formamide
PubChem CID91597078
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(3-methoxy-5-methylpyrazin-2-yl)formamide
SMILESCOc1nc(C)cnc1NC=O
InChIInChI=1S/C7H9N3O2/c1-5-3-8-6(9-4-11)7(10-5)12-2/h3-4H,1-2H3,(H,8,9,11)
InChIKeyVJXCEGKVKNDESE-UHFFFAOYSA-N
XLogP0.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxy-5-methylpyrazin-2-yl)formamide 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 N-(3-methoxy-5-methylpyrazin-2-yl)formamide?
The IUPAC name of N-(3-methoxy-5-methylpyrazin-2-yl)formamide (CID 91597078) is N-(3-methoxy-5-methylpyrazin-2-yl)formamide.
What is the SMILES notation for N-(3-methoxy-5-methylpyrazin-2-yl)formamide?
The canonical SMILES for N-(3-methoxy-5-methylpyrazin-2-yl)formamide is COc1nc(C)cnc1NC=O.
What is the InChIKey of N-(3-methoxy-5-methylpyrazin-2-yl)formamide?
The InChIKey is VJXCEGKVKNDESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5-3-8-6(9-4-11)7(10-5)12-2/h3-4H,1-2H3,(H,8,9,11).
What are the key properties of N-(3-methoxy-5-methylpyrazin-2-yl)formamide?
N-(3-methoxy-5-methylpyrazin-2-yl)formamide has a molecular weight of 167.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5-methylpyrazin-2-yl)formamide is sourced from PubChem (CID 91597078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).