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

C9H13N7 — CID 134157670

IUPAC3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCCc1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C9H13N7/c1-2-7-10-11-8-12-13-9(14-16(7)8)15-5-3-4-6-15/h2-6H2,1H3
InChIKeyAQONWBXFWCQPEF-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.08
Rot. Bonds2

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

3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134157670) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134157670
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCCc1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C9H13N7/c1-2-7-10-11-8-12-13-9(14-16(7)8)15-5-3-4-6-15/h2-6H2,1H3
InChIKeyAQONWBXFWCQPEF-UHFFFAOYSA-N
XLogP0.08
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134133392
3-Propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134147161
3-Tert-butyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134141123
3-Pentyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134153728
3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 138033007
5-Ethyl-2-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine
CID 20146302
3-Methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 56972765
3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 67522971
3-ethyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 68220858
3-ethyl-7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 68220859
3-Propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 89190833
3-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 89233350

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134157670) is 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is CCc1nnc2nnc(N3CCCC3)nn12.
What is the InChIKey of 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is AQONWBXFWCQPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-2-7-10-11-8-12-13-9(14-16(7)8)15-5-3-4-6-15/h2-6H2,1H3.
What are the key properties of 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 219.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134157670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).