4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one

C7H8N4O2 — CID 168704143

IUPAC4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncncn1
InChIInChI=1S/C7H8N4O2/c12-5-1-6(13)11(2-5)7-9-3-8-4-10-7/h3-5,12H,1-2H2
InChIKeyNWBNXNHYPOXZBL-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.03
Rot. Bonds1

About 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one

4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one (PubChem CID 168704143) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one
PubChem CID168704143
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncncn1
InChIInChI=1S/C7H8N4O2/c12-5-1-6(13)11(2-5)7-9-3-8-4-10-7/h3-5,12H,1-2H2
InChIKeyNWBNXNHYPOXZBL-UHFFFAOYSA-N
XLogP-1.03
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one (CID 168704143) is 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one is O=C1CC(O)CN1c1ncncn1.
What is the InChIKey of 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one?
The InChIKey is NWBNXNHYPOXZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c12-5-1-6(13)11(2-5)7-9-3-8-4-10-7/h3-5,12H,1-2H2.
What are the key properties of 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one?
4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one has a molecular weight of 180.17 g/mol, XLogP of -1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168704143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).