[7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate

C10H11ClN4O3 — CID 88604775

IUPAC[7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate
SMILESCOCc1cc(Cl)n2nc(COC(C)=O)nc2n1
InChIInChI=1S/C10H11ClN4O3/c1-6(16)18-5-9-13-10-12-7(4-17-2)3-8(11)15(10)14-9/h3H,4-5H2,1-2H3
InChIKeyHLJBCDQDDRFBAC-UHFFFAOYSA-N
MW270.68 g/mol
LogP0.99
Rot. Bonds4

About [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate

[7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate (PubChem CID 88604775) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate
PubChem CID88604775
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC Name[7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate
SMILESCOCc1cc(Cl)n2nc(COC(C)=O)nc2n1
InChIInChI=1S/C10H11ClN4O3/c1-6(16)18-5-9-13-10-12-7(4-17-2)3-8(11)15(10)14-9/h3H,4-5H2,1-2H3
InChIKeyHLJBCDQDDRFBAC-UHFFFAOYSA-N
XLogP0.99
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate?
The IUPAC name of [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate (CID 88604775) is [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate.
What is the SMILES notation for [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate?
The canonical SMILES for [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate is COCc1cc(Cl)n2nc(COC(C)=O)nc2n1.
What is the InChIKey of [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate?
The InChIKey is HLJBCDQDDRFBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c1-6(16)18-5-9-13-10-12-7(4-17-2)3-8(11)15(10)14-9/h3H,4-5H2,1-2H3.
What are the key properties of [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate?
[7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate has a molecular weight of 270.68 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate is sourced from PubChem (CID 88604775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).