1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one

C7H8ClN5O2 — CID 168704051

IUPAC1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESNc1nc(Cl)nc(N2CC(O)CC2=O)n1
InChIInChI=1S/C7H8ClN5O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2,(H2,9,10,11,12)
InChIKeyUGGBGPLEVHNSBU-UHFFFAOYSA-N
MW229.63 g/mol
LogP-0.80
Rot. Bonds1

About 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one

1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168704051) has the molecular formula C7H8ClN5O2 and a molecular weight of 229.63 g/mol. Its IUPAC name is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168704051
Molecular FormulaC7H8ClN5O2
Molecular Weight229.63 g/mol
Exact Mass229.04
IUPAC Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESNc1nc(Cl)nc(N2CC(O)CC2=O)n1
InChIInChI=1S/C7H8ClN5O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2,(H2,9,10,11,12)
InChIKeyUGGBGPLEVHNSBU-UHFFFAOYSA-N
XLogP-0.80
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one (CID 168704051) is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one is Nc1nc(Cl)nc(N2CC(O)CC2=O)n1.
What is the InChIKey of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is UGGBGPLEVHNSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2,(H2,9,10,11,12).
What are the key properties of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 229.63 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168704051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).