4-methoxy-2H-triazole

C3H5N3O — CID 12933432

IUPAC4-methoxy-2H-triazole
SMILESCOc1cn[nH]n1
InChIInChI=1S/C3H5N3O/c1-7-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)
InChIKeyYOMUZHDQFPQJEO-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.19
Rot. Bonds1

About 4-methoxy-2H-triazole

4-methoxy-2H-triazole (PubChem CID 12933432) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 4-methoxy-2H-triazole.

Molecular Properties

Compound Name4-methoxy-2H-triazole
PubChem CID12933432
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name4-methoxy-2H-triazole
SMILESCOc1cn[nH]n1
InChIInChI=1S/C3H5N3O/c1-7-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)
InChIKeyYOMUZHDQFPQJEO-UHFFFAOYSA-N
XLogP-0.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2H-triazole?
The IUPAC name of 4-methoxy-2H-triazole (CID 12933432) is 4-methoxy-2H-triazole.
What is the SMILES notation for 4-methoxy-2H-triazole?
The canonical SMILES for 4-methoxy-2H-triazole is COc1cn[nH]n1.
What is the InChIKey of 4-methoxy-2H-triazole?
The InChIKey is YOMUZHDQFPQJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c1-7-3-2-4-6-5-3/h2H,1H3,(H,4,5,6).
What are the key properties of 4-methoxy-2H-triazole?
4-methoxy-2H-triazole has a molecular weight of 99.09 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2H-triazole is sourced from PubChem (CID 12933432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).