3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine

C8H8N6O — CID 118688507

IUPAC3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine
SMILESCc1nc([C@@H]2CO2)cnc1-n1cnnn1
InChIInChI=1S/C8H8N6O/c1-5-8(14-4-10-12-13-14)9-2-6(11-5)7-3-15-7/h2,4,7H,3H2,1H3/t7-/m0/s1
InChIKeyYZMCCNPXTBTIGW-ZETCQYMHSA-N
MW204.19 g/mol
LogP-0.17
Rot. Bonds2

About 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine

3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine (PubChem CID 118688507) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine.

Molecular Properties

Compound Name3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine
PubChem CID118688507
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine
SMILESCc1nc([C@@H]2CO2)cnc1-n1cnnn1
InChIInChI=1S/C8H8N6O/c1-5-8(14-4-10-12-13-14)9-2-6(11-5)7-3-15-7/h2,4,7H,3H2,1H3/t7-/m0/s1
InChIKeyYZMCCNPXTBTIGW-ZETCQYMHSA-N
XLogP-0.17
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine?
The IUPAC name of 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine (CID 118688507) is 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine.
What is the SMILES notation for 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine?
The canonical SMILES for 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine is Cc1nc([C@@H]2CO2)cnc1-n1cnnn1.
What is the InChIKey of 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine?
The InChIKey is YZMCCNPXTBTIGW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8N6O/c1-5-8(14-4-10-12-13-14)9-2-6(11-5)7-3-15-7/h2,4,7H,3H2,1H3/t7-/m0/s1.
What are the key properties of 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine?
3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine has a molecular weight of 204.19 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-oxiran-2-yl]-2-(tetrazol-1-yl)pyrazine is sourced from PubChem (CID 118688507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).