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

C7H8N4O2 — CID 762078

IUPAC5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C7H8N4O2/c1-13-3-5-2-6(12)11-7(10-5)8-4-9-11/h2,4H,3H2,1H3,(H,8,9,10)
InChIKeyMTPCSTHSPVPAMW-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.44
Rot. Bonds2

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

5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 762078) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID762078
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C7H8N4O2/c1-13-3-5-2-6(12)11-7(10-5)8-4-9-11/h2,4H,3H2,1H3,(H,8,9,10)
InChIKeyMTPCSTHSPVPAMW-UHFFFAOYSA-N
XLogP-0.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 762078) is 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MTPCSTHSPVPAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-13-3-5-2-6(12)11-7(10-5)8-4-9-11/h2,4H,3H2,1H3,(H,8,9,10).
What are the key properties of 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 180.17 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 762078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).