5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one

C8H7N5O — CID 90815458

IUPAC5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one
SMILESO=C1CCCc2[nH]c3nnnnc3c21
InChIInChI=1S/C8H7N5O/c14-5-3-1-2-4-6(5)7-8(9-4)11-13-12-10-7/h1-3H2,(H,9,11,12)
InChIKeyBWNMITIMJZZDDG-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.27
Rot. Bonds

About 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one

5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one (PubChem CID 90815458) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one
PubChem CID90815458
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one
SMILESO=C1CCCc2[nH]c3nnnnc3c21
InChIInChI=1S/C8H7N5O/c14-5-3-1-2-4-6(5)7-8(9-4)11-13-12-10-7/h1-3H2,(H,9,11,12)
InChIKeyBWNMITIMJZZDDG-UHFFFAOYSA-N
XLogP0.27
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one?
The IUPAC name of 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one (CID 90815458) is 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one.
What is the SMILES notation for 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one?
The canonical SMILES for 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one is O=C1CCCc2[nH]c3nnnnc3c21.
What is the InChIKey of 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one?
The InChIKey is BWNMITIMJZZDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c14-5-3-1-2-4-6(5)7-8(9-4)11-13-12-10-7/h1-3H2,(H,9,11,12).
What are the key properties of 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one?
5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one has a molecular weight of 189.18 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one is sourced from PubChem (CID 90815458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).