1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one

C11H13N5O2 — CID 168702645

IUPAC1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESCc1cc(C)n2nc(N3CC(O)CC3=O)nc2n1
InChIInChI=1S/C11H13N5O2/c1-6-3-7(2)16-10(12-6)13-11(14-16)15-5-8(17)4-9(15)18/h3,8,17H,4-5H2,1-2H3
InChIKeyFHJXBFJUSBDLSS-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.16
Rot. Bonds1

About 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one

1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702645) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168702645
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESCc1cc(C)n2nc(N3CC(O)CC3=O)nc2n1
InChIInChI=1S/C11H13N5O2/c1-6-3-7(2)16-10(12-6)13-11(14-16)15-5-8(17)4-9(15)18/h3,8,17H,4-5H2,1-2H3
InChIKeyFHJXBFJUSBDLSS-UHFFFAOYSA-N
XLogP-0.16
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one (CID 168702645) is 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one is Cc1cc(C)n2nc(N3CC(O)CC3=O)nc2n1.
What is the InChIKey of 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is FHJXBFJUSBDLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-3-7(2)16-10(12-6)13-11(14-16)15-5-8(17)4-9(15)18/h3,8,17H,4-5H2,1-2H3.
What are the key properties of 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 247.26 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).