6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H13N5O — CID 17190662

IUPAC6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1c(C)nc2ncnn2c1N
InChIInChI=1S/C13H13N5O/c1-8-11(9-5-3-4-6-10(9)19-2)12(14)18-13(17-8)15-7-16-18/h3-7H,14H2,1-2H3
InChIKeyJLQFUNZMAKIUAR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.69
Rot. Bonds2

About 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 17190662) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID17190662
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1c(C)nc2ncnn2c1N
InChIInChI=1S/C13H13N5O/c1-8-11(9-5-3-4-6-10(9)19-2)12(14)18-13(17-8)15-7-16-18/h3-7H,14H2,1-2H3
InChIKeyJLQFUNZMAKIUAR-UHFFFAOYSA-N
XLogP1.69
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 17190662) is 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-c1c(C)nc2ncnn2c1N.
What is the InChIKey of 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JLQFUNZMAKIUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-11(9-5-3-4-6-10(9)19-2)12(14)18-13(17-8)15-7-16-18/h3-7H,14H2,1-2H3.
What are the key properties of 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 255.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 17190662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).