1-hydroxy-5-methyl-1,2,4-triazole

C3H5N3O — CID 19822781

IUPAC1-hydroxy-5-methyl-1,2,4-triazole
SMILESCc1ncnn1O
InChIInChI=1S/C3H5N3O/c1-3-4-2-5-6(3)7/h2,7H,1H3
InChIKeyXUZWSBYQQFNWDT-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.18
Rot. Bonds

About 1-hydroxy-5-methyl-1,2,4-triazole

1-hydroxy-5-methyl-1,2,4-triazole (PubChem CID 19822781) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-hydroxy-5-methyl-1,2,4-triazole
PubChem CID19822781
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name1-hydroxy-5-methyl-1,2,4-triazole
SMILESCc1ncnn1O
InChIInChI=1S/C3H5N3O/c1-3-4-2-5-6(3)7/h2,7H,1H3
InChIKeyXUZWSBYQQFNWDT-UHFFFAOYSA-N
XLogP-0.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyl-1,2,4-triazole?
The IUPAC name of 1-hydroxy-5-methyl-1,2,4-triazole (CID 19822781) is 1-hydroxy-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-hydroxy-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-hydroxy-5-methyl-1,2,4-triazole is Cc1ncnn1O.
What is the InChIKey of 1-hydroxy-5-methyl-1,2,4-triazole?
The InChIKey is XUZWSBYQQFNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c1-3-4-2-5-6(3)7/h2,7H,1H3.
What are the key properties of 1-hydroxy-5-methyl-1,2,4-triazole?
1-hydroxy-5-methyl-1,2,4-triazole has a molecular weight of 99.09 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-1,2,4-triazole is sourced from PubChem (CID 19822781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).