2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one

C9H6N4O — CID 135445032

IUPAC2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one
SMILESO=c1nc2[nH]c3ccccc3c2n[nH]1
InChIInChI=1S/C9H6N4O/c14-9-11-8-7(12-13-9)5-3-1-2-4-6(5)10-8/h1-4H,(H2,10,11,13,14)
InChIKeyVQTUJBNRPWJORO-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.80
Rot. Bonds

About 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one

2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one (PubChem CID 135445032) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one.

Molecular Properties

Compound Name2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one
PubChem CID135445032
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one
SMILESO=c1nc2[nH]c3ccccc3c2n[nH]1
InChIInChI=1S/C9H6N4O/c14-9-11-8-7(12-13-9)5-3-1-2-4-6(5)10-8/h1-4H,(H2,10,11,13,14)
InChIKeyVQTUJBNRPWJORO-UHFFFAOYSA-N
XLogP0.80
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one?
The IUPAC name of 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one (CID 135445032) is 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one.
What is the SMILES notation for 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one?
The canonical SMILES for 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one is O=c1nc2[nH]c3ccccc3c2n[nH]1.
What is the InChIKey of 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one?
The InChIKey is VQTUJBNRPWJORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c14-9-11-8-7(12-13-9)5-3-1-2-4-6(5)10-8/h1-4H,(H2,10,11,13,14).
What are the key properties of 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one?
2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one has a molecular weight of 186.17 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-[1,2,4]triazino[5,6-b]indol-3-one is sourced from PubChem (CID 135445032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).