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

C12H15N5O2 — CID 168662772

IUPAC1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1cc(C)n2nc(N3CC(CO)CC3=O)nc2n1
InChIInChI=1S/C12H15N5O2/c1-7-3-8(2)17-11(13-7)14-12(15-17)16-5-9(6-18)4-10(16)19/h3,9,18H,4-6H2,1-2H3
InChIKeyLNCAGFGLIWZPSP-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.09
Rot. Bonds2

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

1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168662772) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168662772
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1cc(C)n2nc(N3CC(CO)CC3=O)nc2n1
InChIInChI=1S/C12H15N5O2/c1-7-3-8(2)17-11(13-7)14-12(15-17)16-5-9(6-18)4-10(16)19/h3,9,18H,4-6H2,1-2H3
InChIKeyLNCAGFGLIWZPSP-UHFFFAOYSA-N
XLogP0.09
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168702645
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484
1-(4-hydroxy-2,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662808
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168662663
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
N-(2-hydroxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43393604
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951
4-(hydroxymethyl)-1-(5-iodo-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168662716

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168662772) is 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is Cc1cc(C)n2nc(N3CC(CO)CC3=O)nc2n1.
What is the InChIKey of 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is LNCAGFGLIWZPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-3-8(2)17-11(13-7)14-12(15-17)16-5-9(6-18)4-10(16)19/h3,9,18H,4-6H2,1-2H3.
What are the key properties of 1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 261.28 g/mol, XLogP of 0.09, 2 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-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168662772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).