6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C9H12N4O3 — CID 136773982

IUPAC6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1nc2[nH]c(=O)c(CCO)c(C)n2n1
InChIInChI=1S/C9H12N4O3/c1-5-6(3-4-14)7(15)10-8-11-9(16-2)12-13(5)8/h14H,3-4H2,1-2H3,(H,10,11,12,15)
InChIKeyFNVIBEPMCKFXIC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.73
Rot. Bonds3

About 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773982) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773982
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1nc2[nH]c(=O)c(CCO)c(C)n2n1
InChIInChI=1S/C9H12N4O3/c1-5-6(3-4-14)7(15)10-8-11-9(16-2)12-13(5)8/h14H,3-4H2,1-2H3,(H,10,11,12,15)
InChIKeyFNVIBEPMCKFXIC-UHFFFAOYSA-N
XLogP-0.73
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773982) is 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is COc1nc2[nH]c(=O)c(CCO)c(C)n2n1.
What is the InChIKey of 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FNVIBEPMCKFXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5-6(3-4-14)7(15)10-8-11-9(16-2)12-13(5)8/h14H,3-4H2,1-2H3,(H,10,11,12,15).
What are the key properties of 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 224.22 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2-methoxy-7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).