1-hydroxy-3-prop-2-enyl-1,2,4-triazole

C5H7N3O — CID 89303572

IUPAC1-hydroxy-3-prop-2-enyl-1,2,4-triazole
SMILESC=CCc1ncn(O)n1
InChIInChI=1S/C5H7N3O/c1-2-3-5-6-4-8(9)7-5/h2,4,9H,1,3H2
InChIKeyPIQPHRQTXSWYGK-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.24
Rot. Bonds2

About 1-hydroxy-3-prop-2-enyl-1,2,4-triazole

1-hydroxy-3-prop-2-enyl-1,2,4-triazole (PubChem CID 89303572) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-hydroxy-3-prop-2-enyl-1,2,4-triazole.

Molecular Properties

Compound Name1-hydroxy-3-prop-2-enyl-1,2,4-triazole
PubChem CID89303572
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name1-hydroxy-3-prop-2-enyl-1,2,4-triazole
SMILESC=CCc1ncn(O)n1
InChIInChI=1S/C5H7N3O/c1-2-3-5-6-4-8(9)7-5/h2,4,9H,1,3H2
InChIKeyPIQPHRQTXSWYGK-UHFFFAOYSA-N
XLogP0.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-prop-2-enyl-1,2,4-triazole?
The IUPAC name of 1-hydroxy-3-prop-2-enyl-1,2,4-triazole (CID 89303572) is 1-hydroxy-3-prop-2-enyl-1,2,4-triazole.
What is the SMILES notation for 1-hydroxy-3-prop-2-enyl-1,2,4-triazole?
The canonical SMILES for 1-hydroxy-3-prop-2-enyl-1,2,4-triazole is C=CCc1ncn(O)n1.
What is the InChIKey of 1-hydroxy-3-prop-2-enyl-1,2,4-triazole?
The InChIKey is PIQPHRQTXSWYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-3-5-6-4-8(9)7-5/h2,4,9H,1,3H2.
What are the key properties of 1-hydroxy-3-prop-2-enyl-1,2,4-triazole?
1-hydroxy-3-prop-2-enyl-1,2,4-triazole has a molecular weight of 125.13 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-prop-2-enyl-1,2,4-triazole is sourced from PubChem (CID 89303572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).