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

C8H11N7 — CID 134133392

IUPAC3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C8H11N7/c1-6-9-10-7-11-12-8(13-15(6)7)14-4-2-3-5-14/h2-5H2,1H3
InChIKeyITLSNCRZFZQHNQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.18
Rot. Bonds1

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

3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134133392) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134133392
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C8H11N7/c1-6-9-10-7-11-12-8(13-15(6)7)14-4-2-3-5-14/h2-5H2,1H3
InChIKeyITLSNCRZFZQHNQ-UHFFFAOYSA-N
XLogP-0.18
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134133392) is 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is Cc1nnc2nnc(N3CCCC3)nn12.
What is the InChIKey of 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is ITLSNCRZFZQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-6-9-10-7-11-12-8(13-15(6)7)14-4-2-3-5-14/h2-5H2,1H3.
What are the key properties of 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 205.22 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134133392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).