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

C6H6N4 — CID 584230

IUPAC5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccn2ncnc2n1
InChIInChI=1S/C6H6N4/c1-5-2-3-10-6(9-5)7-4-8-10/h2-4H,1H3
InChIKeyDOHPJVZVZNYFRH-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.43
Rot. Bonds

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

5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 584230) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID584230
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccn2ncnc2n1
InChIInChI=1S/C6H6N4/c1-5-2-3-10-6(9-5)7-4-8-10/h2-4H,1H3
InChIKeyDOHPJVZVZNYFRH-UHFFFAOYSA-N
XLogP0.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 584230) is 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccn2ncnc2n1.
What is the InChIKey of 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DOHPJVZVZNYFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5-2-3-10-6(9-5)7-4-8-10/h2-4H,1H3.
What are the key properties of 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 134.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 584230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).