2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole

C8H9N3O — CID 174990596

IUPAC2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole
SMILESON1CN=C(c2ccccc2)N1
InChIInChI=1S/C8H9N3O/c12-11-6-9-8(10-11)7-4-2-1-3-5-7/h1-5,12H,6H2,(H,9,10)
InChIKeyHDNDOBDPGHRROW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.60
Rot. Bonds1

About 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole

2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole (PubChem CID 174990596) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole
PubChem CID174990596
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole
SMILESON1CN=C(c2ccccc2)N1
InChIInChI=1S/C8H9N3O/c12-11-6-9-8(10-11)7-4-2-1-3-5-7/h1-5,12H,6H2,(H,9,10)
InChIKeyHDNDOBDPGHRROW-UHFFFAOYSA-N
XLogP0.60
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole?
The IUPAC name of 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole (CID 174990596) is 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole.
What is the SMILES notation for 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole?
The canonical SMILES for 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole is ON1CN=C(c2ccccc2)N1.
What is the InChIKey of 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole?
The InChIKey is HDNDOBDPGHRROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c12-11-6-9-8(10-11)7-4-2-1-3-5-7/h1-5,12H,6H2,(H,9,10).
What are the key properties of 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole?
2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole has a molecular weight of 163.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-phenyl-1,3-dihydro-1,2,4-triazole is sourced from PubChem (CID 174990596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).