7-methylpyrano[2,3-d]triazole

C6H5N3O — CID 162789064

IUPAC7-methylpyrano[2,3-d]triazole
SMILESCc1ccoc2nnnc1-2
InChIInChI=1S/C6H5N3O/c1-4-2-3-10-6-5(4)7-9-8-6/h2-3H,1H3
InChIKeyZQDZJPZMLIOORE-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.88
Rot. Bonds

About 7-methylpyrano[2,3-d]triazole

7-methylpyrano[2,3-d]triazole (PubChem CID 162789064) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 7-methylpyrano[2,3-d]triazole.

Molecular Properties

Compound Name7-methylpyrano[2,3-d]triazole
PubChem CID162789064
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name7-methylpyrano[2,3-d]triazole
SMILESCc1ccoc2nnnc1-2
InChIInChI=1S/C6H5N3O/c1-4-2-3-10-6-5(4)7-9-8-6/h2-3H,1H3
InChIKeyZQDZJPZMLIOORE-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 7-methylpyrano[2,3-d]triazole?
The IUPAC name of 7-methylpyrano[2,3-d]triazole (CID 162789064) is 7-methylpyrano[2,3-d]triazole.
What is the SMILES notation for 7-methylpyrano[2,3-d]triazole?
The canonical SMILES for 7-methylpyrano[2,3-d]triazole is Cc1ccoc2nnnc1-2.
What is the InChIKey of 7-methylpyrano[2,3-d]triazole?
The InChIKey is ZQDZJPZMLIOORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-2-3-10-6-5(4)7-9-8-6/h2-3H,1H3.
What are the key properties of 7-methylpyrano[2,3-d]triazole?
7-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 7-methylpyrano[2,3-d]triazole is sourced from PubChem (CID 162789064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).