7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C7H8N4O — CID 21241318

IUPAC7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2ncnn12
InChIInChI=1S/C7H8N4O/c1-5-3-6(12-2)11-7(10-5)8-4-9-11/h3-4H,1-2H3
InChIKeyRDDFONIJRJHLCM-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.44
Rot. Bonds1

About 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 21241318) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID21241318
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2ncnn12
InChIInChI=1S/C7H8N4O/c1-5-3-6(12-2)11-7(10-5)8-4-9-11/h3-4H,1-2H3
InChIKeyRDDFONIJRJHLCM-UHFFFAOYSA-N
XLogP0.44
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 21241318) is 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(C)nc2ncnn12.
What is the InChIKey of 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RDDFONIJRJHLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5-3-6(12-2)11-7(10-5)8-4-9-11/h3-4H,1-2H3.
What are the key properties of 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 164.17 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21241318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).