3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine

C8H6N6 — CID 135398167

IUPAC3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine
SMILESc1ccn(-c2nnc3nccn3n2)c1
InChIInChI=1S/C8H6N6/c1-2-5-13(4-1)8-11-10-7-9-3-6-14(7)12-8/h1-6H
InChIKeyTYOZZISGAQSLRD-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.31
Rot. Bonds1

About 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine

3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine (PubChem CID 135398167) has the molecular formula C8H6N6 and a molecular weight of 186.18 g/mol. Its IUPAC name is 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine
PubChem CID135398167
Molecular FormulaC8H6N6
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine
SMILESc1ccn(-c2nnc3nccn3n2)c1
InChIInChI=1S/C8H6N6/c1-2-5-13(4-1)8-11-10-7-9-3-6-14(7)12-8/h1-6H
InChIKeyTYOZZISGAQSLRD-UHFFFAOYSA-N
XLogP0.31
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine?
The IUPAC name of 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine (CID 135398167) is 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine is c1ccn(-c2nnc3nccn3n2)c1.
What is the InChIKey of 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine?
The InChIKey is TYOZZISGAQSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6/c1-2-5-13(4-1)8-11-10-7-9-3-6-14(7)12-8/h1-6H.
What are the key properties of 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine?
3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine has a molecular weight of 186.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylimidazo[1,2-b][1,2,4,5]tetrazine is sourced from PubChem (CID 135398167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).