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

C8H10N4O2 — CID 667053

IUPAC5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C8H10N4O2/c1-5-9-8-10-6(4-14-2)3-7(13)12(8)11-5/h3H,4H2,1-2H3,(H,9,10,11)
InChIKeyJOUDNQLRLBESRR-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.13
Rot. Bonds2

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

5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 667053) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID667053
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C8H10N4O2/c1-5-9-8-10-6(4-14-2)3-7(13)12(8)11-5/h3H,4H2,1-2H3,(H,9,10,11)
InChIKeyJOUDNQLRLBESRR-UHFFFAOYSA-N
XLogP-0.13
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 667053) is 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]c(C)nc2n1.
What is the InChIKey of 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JOUDNQLRLBESRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-5-9-8-10-6(4-14-2)3-7(13)12(8)11-5/h3H,4H2,1-2H3,(H,9,10,11).
What are the key properties of 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 194.19 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 667053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).