tetrazino[1,6-b]indazole

C8H5N5 — CID 67063068

IUPACtetrazino[1,6-b]indazole
SMILESc1ccc2c(c1)nn1nnncc21
InChIInChI=1S/C8H5N5/c1-2-4-7-6(3-1)8-5-9-11-12-13(8)10-7/h1-5H
InChIKeyJLBKPIKRFNBYTG-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.67
Rot. Bonds

About tetrazino[1,6-b]indazole

tetrazino[1,6-b]indazole (PubChem CID 67063068) has the molecular formula C8H5N5 and a molecular weight of 171.16 g/mol. Its IUPAC name is tetrazino[1,6-b]indazole.

Molecular Properties

Compound Nametetrazino[1,6-b]indazole
PubChem CID67063068
Molecular FormulaC8H5N5
Molecular Weight171.16 g/mol
Exact Mass171.05
IUPAC Nametetrazino[1,6-b]indazole
SMILESc1ccc2c(c1)nn1nnncc21
InChIInChI=1S/C8H5N5/c1-2-4-7-6(3-1)8-5-9-11-12-13(8)10-7/h1-5H
InChIKeyJLBKPIKRFNBYTG-UHFFFAOYSA-N
XLogP0.67
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Indazole
CID 9221
5-(1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25165860
Cinnoline
CID 9208
4-Aminocinnoline
CID 817744
2H-1,2,3-Triazole, 2,4-diphenyl-
CID 11074947
7-(1H-[1,2,3]Triazol-5-yl)-1H-indazole
CID 44585509
[1,2,5]Oxadiazolo[3,4-f]cinnoline
CID 598966
1H-Indazol-1-amine
CID 11768620
3-Phenylpyrazolo[1,5-b]pyridazine
CID 155550121
2H-Indazol-2-amine
CID 5323892
N-Phenyl-2H-indazol-2-amine
CID 13143691
1-(Methylamino)indazole
CID 15129846

Frequently Asked Questions

What is the IUPAC name of tetrazino[1,6-b]indazole?
The IUPAC name of tetrazino[1,6-b]indazole (CID 67063068) is tetrazino[1,6-b]indazole.
What is the SMILES notation for tetrazino[1,6-b]indazole?
The canonical SMILES for tetrazino[1,6-b]indazole is c1ccc2c(c1)nn1nnncc21.
What is the InChIKey of tetrazino[1,6-b]indazole?
The InChIKey is JLBKPIKRFNBYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5/c1-2-4-7-6(3-1)8-5-9-11-12-13(8)10-7/h1-5H.
What are the key properties of tetrazino[1,6-b]indazole?
tetrazino[1,6-b]indazole has a molecular weight of 171.16 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazino[1,6-b]indazole is sourced from PubChem (CID 67063068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).