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

C7H6N8 — CID 3315600

IUPAC5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cnnn2)n2ncnc2n1
InChIInChI=1S/C7H6N8/c1-5-2-6(14-4-9-12-13-14)15-7(11-5)8-3-10-15/h2-4H,1H3
InChIKeyVBYIHZKMWNTXAW-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.59
Rot. Bonds1

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

5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3315600) has the molecular formula C7H6N8 and a molecular weight of 202.18 g/mol. Its IUPAC name is 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3315600
Molecular FormulaC7H6N8
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cnnn2)n2ncnc2n1
InChIInChI=1S/C7H6N8/c1-5-2-6(14-4-9-12-13-14)15-7(11-5)8-3-10-15/h2-4H,1H3
InChIKeyVBYIHZKMWNTXAW-UHFFFAOYSA-N
XLogP-0.59
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3315600) is 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-n2cnnn2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VBYIHZKMWNTXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N8/c1-5-2-6(14-4-9-12-13-14)15-7(11-5)8-3-10-15/h2-4H,1H3.
What are the key properties of 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 202.18 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(tetrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3315600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).