1-methoxy-1,2,4-triazole

C3H5N3O — CID 19910162

IUPAC1-methoxy-1,2,4-triazole
SMILESCOn1cncn1
InChIInChI=1S/C3H5N3O/c1-7-6-3-4-2-5-6/h2-3H,1H3
InChIKeyHTBSWKZHQBUQLD-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.66
Rot. Bonds1

About 1-methoxy-1,2,4-triazole

1-methoxy-1,2,4-triazole (PubChem CID 19910162) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 1-methoxy-1,2,4-triazole.

Molecular Properties

Compound Name1-methoxy-1,2,4-triazole
PubChem CID19910162
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name1-methoxy-1,2,4-triazole
SMILESCOn1cncn1
InChIInChI=1S/C3H5N3O/c1-7-6-3-4-2-5-6/h2-3H,1H3
InChIKeyHTBSWKZHQBUQLD-UHFFFAOYSA-N
XLogP-0.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,2,4-triazole?
The IUPAC name of 1-methoxy-1,2,4-triazole (CID 19910162) is 1-methoxy-1,2,4-triazole.
What is the SMILES notation for 1-methoxy-1,2,4-triazole?
The canonical SMILES for 1-methoxy-1,2,4-triazole is COn1cncn1.
What is the InChIKey of 1-methoxy-1,2,4-triazole?
The InChIKey is HTBSWKZHQBUQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c1-7-6-3-4-2-5-6/h2-3H,1H3.
What are the key properties of 1-methoxy-1,2,4-triazole?
1-methoxy-1,2,4-triazole has a molecular weight of 99.09 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,2,4-triazole is sourced from PubChem (CID 19910162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).