5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one

C10H11N3O3 — CID 136999563

IUPAC5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCO)nn1-c1cccc(O)c1
InChIInChI=1S/C10H11N3O3/c14-5-4-9-11-10(16)13(12-9)7-2-1-3-8(15)6-7/h1-3,6,14-15H,4-5H2,(H,11,12,16)
InChIKeyUWUWHSAUBXTINL-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.20
Rot. Bonds3

About 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one

5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one (PubChem CID 136999563) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one
PubChem CID136999563
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCO)nn1-c1cccc(O)c1
InChIInChI=1S/C10H11N3O3/c14-5-4-9-11-10(16)13(12-9)7-2-1-3-8(15)6-7/h1-3,6,14-15H,4-5H2,(H,11,12,16)
InChIKeyUWUWHSAUBXTINL-UHFFFAOYSA-N
XLogP-0.20
TPSA91.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-one
CID 136999564
5-(2-aminoethyl)-2-(3-methylphenyl)-4H-1,2,4-triazol-3-one
CID 136999513
5-(aminomethyl)-2-(3-chlorophenyl)-4H-1,2,4-triazol-3-one
CID 136999615
5-(2-aminoethyl)-2-(4-bromophenyl)-4H-1,2,4-triazol-3-one
CID 136954441
2-benzyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136999526
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
5-(2-aminoethyl)-2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 136999576
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
5-bromo-2-phenyl-4H-1,2,4-triazol-3-one
CID 165346620
3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
CID 82228068
4-(difluoromethyl)-2-(3-hydroxyphenyl)-5-methyl-1,2,4-triazol-3-one
CID 13488722
2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
CID 115056429

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one (CID 136999563) is 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CCO)nn1-c1cccc(O)c1.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one?
The InChIKey is UWUWHSAUBXTINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-5-4-9-11-10(16)13(12-9)7-2-1-3-8(15)6-7/h1-3,6,14-15H,4-5H2,(H,11,12,16).
What are the key properties of 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one?
5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one has a molecular weight of 221.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136999563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).