4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one

C6H8N4O2 — CID 168704175

IUPAC4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncn[nH]1
InChIInChI=1S/C6H8N4O2/c11-4-1-5(12)10(2-4)6-7-3-8-9-6/h3-4,11H,1-2H2,(H,7,8,9)
InChIKeyLLURCHUTZSUXPU-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.10
Rot. Bonds1

About 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one

4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one (PubChem CID 168704175) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
PubChem CID168704175
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncn[nH]1
InChIInChI=1S/C6H8N4O2/c11-4-1-5(12)10(2-4)6-7-3-8-9-6/h3-4,11H,1-2H2,(H,7,8,9)
InChIKeyLLURCHUTZSUXPU-UHFFFAOYSA-N
XLogP-1.10
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 168698653
1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168701841
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168704171
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 168704019
1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
CID 168703642
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168703676
1-(2-fluoro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703969

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one (CID 168704175) is 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one is O=C1CC(O)CN1c1ncn[nH]1.
What is the InChIKey of 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one?
The InChIKey is LLURCHUTZSUXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c11-4-1-5(12)10(2-4)6-7-3-8-9-6/h3-4,11H,1-2H2,(H,7,8,9).
What are the key properties of 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one?
4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one has a molecular weight of 168.16 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168704175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).