5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine

C11H19N5 — CID 139266930

IUPAC5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine
SMILESCCCN1C(C)=Nc2nncn2C1(C)CC
InChIInChI=1S/C11H19N5/c1-5-7-15-9(3)13-10-14-12-8-16(10)11(15,4)6-2/h8H,5-7H2,1-4H3
InChIKeyAYDURFHCSSONPT-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.14
Rot. Bonds3

About 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine

5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine (PubChem CID 139266930) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine.

Molecular Properties

Compound Name5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine
PubChem CID139266930
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine
SMILESCCCN1C(C)=Nc2nncn2C1(C)CC
InChIInChI=1S/C11H19N5/c1-5-7-15-9(3)13-10-14-12-8-16(10)11(15,4)6-2/h8H,5-7H2,1-4H3
InChIKeyAYDURFHCSSONPT-UHFFFAOYSA-N
XLogP2.14
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine?
The IUPAC name of 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine (CID 139266930) is 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine.
What is the SMILES notation for 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine?
The canonical SMILES for 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine is CCCN1C(C)=Nc2nncn2C1(C)CC.
What is the InChIKey of 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine?
The InChIKey is AYDURFHCSSONPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-5-7-15-9(3)13-10-14-12-8-16(10)11(15,4)6-2/h8H,5-7H2,1-4H3.
What are the key properties of 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine?
5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine has a molecular weight of 221.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5,7-dimethyl-6-propyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine is sourced from PubChem (CID 139266930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).