2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C15H16N4O — CID 91049911

IUPAC2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nccc(C(C)Oc3ccccc3C)n2n1
InChIInChI=1S/C15H16N4O/c1-10-6-4-5-7-14(10)20-11(2)13-8-9-16-15-17-12(3)18-19(13)15/h4-9,11H,1-3H3
InChIKeyLECJYLXSGQKKRU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 91049911) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID91049911
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nccc(C(C)Oc3ccccc3C)n2n1
InChIInChI=1S/C15H16N4O/c1-10-6-4-5-7-14(10)20-11(2)13-8-9-16-15-17-12(3)18-19(13)15/h4-9,11H,1-3H3
InChIKeyLECJYLXSGQKKRU-UHFFFAOYSA-N
XLogP2.88
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 91049911) is 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nccc(C(C)Oc3ccccc3C)n2n1.
What is the InChIKey of 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LECJYLXSGQKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-6-4-5-7-14(10)20-11(2)13-8-9-16-15-17-12(3)18-19(13)15/h4-9,11H,1-3H3.
What are the key properties of 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 268.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[1-(2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91049911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).