5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine

C7H9N5O — CID 22367342

IUPAC5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine
SMILESCCc1nc(OC)n2ncnc2n1
InChIInChI=1S/C7H9N5O/c1-3-5-10-6-8-4-9-12(6)7(11-5)13-2/h4H,3H2,1-2H3
InChIKeyKWSSNPZZVIEORJ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.09
Rot. Bonds2

About 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine

5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine (PubChem CID 22367342) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine
PubChem CID22367342
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine
SMILESCCc1nc(OC)n2ncnc2n1
InChIInChI=1S/C7H9N5O/c1-3-5-10-6-8-4-9-12(6)7(11-5)13-2/h4H,3H2,1-2H3
InChIKeyKWSSNPZZVIEORJ-UHFFFAOYSA-N
XLogP0.09
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine (CID 22367342) is 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine is CCc1nc(OC)n2ncnc2n1.
What is the InChIKey of 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The InChIKey is KWSSNPZZVIEORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-3-5-10-6-8-4-9-12(6)7(11-5)13-2/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine has a molecular weight of 179.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methoxy-[1,2,4]triazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 22367342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).