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

C4H7N3O2 — CID 107410747

IUPAC4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCO
InChIInChI=1S/C4H7N3O2/c8-2-1-7-3-5-6-4(7)9/h3,8H,1-2H2,(H,6,9)
InChIKeyLIKBNCAPBBGSNX-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.44
Rot. Bonds2

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

4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410747) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
PubChem CID107410747
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCO
InChIInChI=1S/C4H7N3O2/c8-2-1-7-3-5-6-4(7)9/h3,8H,1-2H2,(H,6,9)
InChIKeyLIKBNCAPBBGSNX-UHFFFAOYSA-N
XLogP-1.44
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3,3-trifluoro-2-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 105649113
4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1H-1,2,4-triazol-5-one
CID 132088083
4-(3,3-difluoro-2-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 105649211
4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1H-1,2,4-triazol-5-one
CID 153911815
4-[(2S)-1,3,3-trifluoro-2-hydroxypropyl]-1H-1,2,4-triazol-5-one
CID 155071376
3-ethoxy-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 69801552
4-(2-methoxyethyl)-1H-1,2,4-triazol-5-one
CID 115393637
4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 107410746
4-(1-hydroxybutan-2-yl)-1H-1,2,4-triazol-5-one
CID 107410748
4-(1-hydroxy-2-methylpropan-2-yl)-1H-1,2,4-triazol-5-one
CID 107410749
4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 107410751
4-(1-hydroxypropan-2-yl)-1H-1,2,4-triazol-5-one
CID 107410754

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one (CID 107410747) is 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is LIKBNCAPBBGSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c8-2-1-7-3-5-6-4(7)9/h3,8H,1-2H2,(H,6,9).
What are the key properties of 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one?
4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 129.12 g/mol, XLogP of -1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).