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

C5H8FN3O2 — CID 154642263

IUPAC3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CF)n1CCO
InChIInChI=1S/C5H8FN3O2/c6-3-4-7-8-5(11)9(4)1-2-10/h10H,1-3H2,(H,8,11)
InChIKeyFVKVXXSXFDOJQC-UHFFFAOYSA-N
MW161.14 g/mol
LogP-0.97
Rot. Bonds3

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

3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one (PubChem CID 154642263) has the molecular formula C5H8FN3O2 and a molecular weight of 161.14 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
PubChem CID154642263
Molecular FormulaC5H8FN3O2
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Name3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CF)n1CCO
InChIInChI=1S/C5H8FN3O2/c6-3-4-7-8-5(11)9(4)1-2-10/h10H,1-3H2,(H,8,11)
InChIKeyFVKVXXSXFDOJQC-UHFFFAOYSA-N
XLogP-0.97
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 389497
5-(Hydroxymethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 57927640
3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 154642334
3-(hydroxymethyl)-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 59296998
4-Ethyl-5-(hydroxymethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 131212648
3-(hydroxymethyl)-4-propyl-1H-1,2,4-triazol-5-one
CID 142335819
2-Amino-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
CID 155056505
4-Cyclopropyl-5-(hydroxymethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 156527932
2-Deuterio-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
CID 175708567
4-Ethyl-3-(1-hydroxyethyl)-1H-1,2,4-triazol-5(4H)-one
CID 45083224

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one (CID 154642263) is 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(CF)n1CCO.
What is the InChIKey of 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is FVKVXXSXFDOJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O2/c6-3-4-7-8-5(11)9(4)1-2-10/h10H,1-3H2,(H,8,11).
What are the key properties of 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one?
3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 161.14 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 154642263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).