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

C8H8N6O — CID 90773632

IUPAC8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one
SMILESNC1CCc2[nH]c3nnnnc3c2C1=O
InChIInChI=1S/C8H8N6O/c9-3-1-2-4-5(7(3)15)6-8(10-4)12-14-13-11-6/h3H,1-2,9H2,(H,10,12,13)
InChIKeyWLRQNIOEQFPSRQ-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.80
Rot. Bonds

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

8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one (PubChem CID 90773632) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one.

Molecular Properties

Compound Name8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one
PubChem CID90773632
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one
SMILESNC1CCc2[nH]c3nnnnc3c2C1=O
InChIInChI=1S/C8H8N6O/c9-3-1-2-4-5(7(3)15)6-8(10-4)12-14-13-11-6/h3H,1-2,9H2,(H,10,12,13)
InChIKeyWLRQNIOEQFPSRQ-UHFFFAOYSA-N
XLogP-0.80
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one?
The IUPAC name of 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one (CID 90773632) is 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one.
What is the SMILES notation for 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one?
The canonical SMILES for 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one is NC1CCc2[nH]c3nnnnc3c2C1=O.
What is the InChIKey of 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one?
The InChIKey is WLRQNIOEQFPSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c9-3-1-2-4-5(7(3)15)6-8(10-4)12-14-13-11-6/h3H,1-2,9H2,(H,10,12,13).
What are the key properties of 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one?
8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one has a molecular weight of 204.19 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5,6,7,8-tetrahydrotetrazino[5,6-b]indol-9-one is sourced from PubChem (CID 90773632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).