5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C8H7N7 — CID 3658641

IUPAC5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cncn2)n2ncnc2n1
InChIInChI=1S/C8H7N7/c1-6-2-7(14-5-9-3-11-14)15-8(13-6)10-4-12-15/h2-5H,1H3
InChIKeyRDEXYCDSPDPXOZ-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.01
Rot. Bonds1

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

5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3658641) has the molecular formula C8H7N7 and a molecular weight of 201.19 g/mol. Its IUPAC name is 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3658641
Molecular FormulaC8H7N7
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cncn2)n2ncnc2n1
InChIInChI=1S/C8H7N7/c1-6-2-7(14-5-9-3-11-14)15-8(13-6)10-4-12-15/h2-5H,1H3
InChIKeyRDEXYCDSPDPXOZ-UHFFFAOYSA-N
XLogP0.01
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3658641) is 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-n2cncn2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RDEXYCDSPDPXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7/c1-6-2-7(14-5-9-3-11-14)15-8(13-6)10-4-12-15/h2-5H,1H3.
What are the key properties of 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 201.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1,2,4-triazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3658641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).