4-methoxy-1,2,4-triazole

C3H5N3O — CID 149253350

IUPAC4-methoxy-1,2,4-triazole
SMILESCOn1cnnc1
InChIInChI=1S/C3H5N3O/c1-7-6-2-4-5-3-6/h2-3H,1H3
InChIKeyXORLGNJDWLGUES-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.66
Rot. Bonds1

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

4-methoxy-1,2,4-triazole (PubChem CID 149253350) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 4-methoxy-1,2,4-triazole.

Molecular Properties

Compound Name4-methoxy-1,2,4-triazole
PubChem CID149253350
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name4-methoxy-1,2,4-triazole
SMILESCOn1cnnc1
InChIInChI=1S/C3H5N3O/c1-7-6-2-4-5-3-6/h2-3H,1H3
InChIKeyXORLGNJDWLGUES-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 4-methoxy-1,2,4-triazole?
The IUPAC name of 4-methoxy-1,2,4-triazole (CID 149253350) is 4-methoxy-1,2,4-triazole.
What is the SMILES notation for 4-methoxy-1,2,4-triazole?
The canonical SMILES for 4-methoxy-1,2,4-triazole is COn1cnnc1.
What is the InChIKey of 4-methoxy-1,2,4-triazole?
The InChIKey is XORLGNJDWLGUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c1-7-6-2-4-5-3-6/h2-3H,1H3.
What are the key properties of 4-methoxy-1,2,4-triazole?
4-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 4-methoxy-1,2,4-triazole is sourced from PubChem (CID 149253350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).