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

C7H9N7 — CID 566048

IUPAC6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESc1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C7H9N7/c1-2-4-13(3-1)7-11-10-6-9-8-5-14(6)12-7/h5H,1-4H2
InChIKeyFMYZAUQSOMPWHY-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.49
Rot. Bonds1

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

6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 566048) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID566048
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESc1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C7H9N7/c1-2-4-13(3-1)7-11-10-6-9-8-5-14(6)12-7/h5H,1-4H2
InChIKeyFMYZAUQSOMPWHY-UHFFFAOYSA-N
XLogP-0.49
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 566048) is 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is c1nnc2nnc(N3CCCC3)nn12.
What is the InChIKey of 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is FMYZAUQSOMPWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c1-2-4-13(3-1)7-11-10-6-9-8-5-14(6)12-7/h5H,1-4H2.
What are the key properties of 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 191.20 g/mol, XLogP of -0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 566048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).