5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine

C7H9N5 — CID 58514400

IUPAC5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine
SMILESCC(C)c1ncnc2nncn12
InChIInChI=1S/C7H9N5/c1-5(2)6-8-3-9-7-11-10-4-12(6)7/h3-5H,1-2H3
InChIKeyZHYCHSMIGPMOLU-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.64
Rot. Bonds1

About 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine

5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine (PubChem CID 58514400) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine.

Molecular Properties

Compound Name5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine
PubChem CID58514400
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine
SMILESCC(C)c1ncnc2nncn12
InChIInChI=1S/C7H9N5/c1-5(2)6-8-3-9-7-11-10-4-12(6)7/h3-5H,1-2H3
InChIKeyZHYCHSMIGPMOLU-UHFFFAOYSA-N
XLogP0.64
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine?
The IUPAC name of 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine (CID 58514400) is 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine.
What is the SMILES notation for 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine?
The canonical SMILES for 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine is CC(C)c1ncnc2nncn12.
What is the InChIKey of 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine?
The InChIKey is ZHYCHSMIGPMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-5(2)6-8-3-9-7-11-10-4-12(6)7/h3-5H,1-2H3.
What are the key properties of 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine?
5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine has a molecular weight of 163.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-[1,2,4]triazolo[4,3-a][1,3,5]triazine is sourced from PubChem (CID 58514400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).