6-methylpyrano[2,3-d]triazole

C6H5N3O — CID 162788978

IUPAC6-methylpyrano[2,3-d]triazole
SMILESCc1coc2nnnc-2c1
InChIInChI=1S/C6H5N3O/c1-4-2-5-6(10-3-4)8-9-7-5/h2-3H,1H3
InChIKeyOIMVZHBEIONIEP-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.88
Rot. Bonds

About 6-methylpyrano[2,3-d]triazole

6-methylpyrano[2,3-d]triazole (PubChem CID 162788978) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 6-methylpyrano[2,3-d]triazole.

Molecular Properties

Compound Name6-methylpyrano[2,3-d]triazole
PubChem CID162788978
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name6-methylpyrano[2,3-d]triazole
SMILESCc1coc2nnnc-2c1
InChIInChI=1S/C6H5N3O/c1-4-2-5-6(10-3-4)8-9-7-5/h2-3H,1H3
InChIKeyOIMVZHBEIONIEP-UHFFFAOYSA-N
XLogP0.88
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyrano[2,3-d]triazole?
The IUPAC name of 6-methylpyrano[2,3-d]triazole (CID 162788978) is 6-methylpyrano[2,3-d]triazole.
What is the SMILES notation for 6-methylpyrano[2,3-d]triazole?
The canonical SMILES for 6-methylpyrano[2,3-d]triazole is Cc1coc2nnnc-2c1.
What is the InChIKey of 6-methylpyrano[2,3-d]triazole?
The InChIKey is OIMVZHBEIONIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-2-5-6(10-3-4)8-9-7-5/h2-3H,1H3.
What are the key properties of 6-methylpyrano[2,3-d]triazole?
6-methylpyrano[2,3-d]triazole has a molecular weight of 135.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrano[2,3-d]triazole is sourced from PubChem (CID 162788978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).