3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C11H17N7 — CID 134141123

IUPAC3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCC(C)(C)c1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C11H17N7/c1-11(2,3)8-12-13-9-14-15-10(16-18(8)9)17-6-4-5-7-17/h4-7H2,1-3H3
InChIKeyRFGLKLZBSLWEEV-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.81
Rot. Bonds1

About 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134141123) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134141123
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCC(C)(C)c1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C11H17N7/c1-11(2,3)8-12-13-9-14-15-10(16-18(8)9)17-6-4-5-7-17/h4-7H2,1-3H3
InChIKeyRFGLKLZBSLWEEV-UHFFFAOYSA-N
XLogP0.81
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134141123) is 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is CC(C)(C)c1nnc2nnc(N3CCCC3)nn12.
What is the InChIKey of 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is RFGLKLZBSLWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-11(2,3)8-12-13-9-14-15-10(16-18(8)9)17-6-4-5-7-17/h4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 247.31 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134141123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).