3-amino-5H-triazino[5,4-b]indol-4-one

C9H7N5O — CID 135596582

IUPAC3-amino-5H-triazino[5,4-b]indol-4-one
SMILESNn1nnc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C9H7N5O/c10-14-9(15)8-7(12-13-14)5-3-1-2-4-6(5)11-8/h1-4,11H,10H2
InChIKeyIUANTOZKALGXMS-UHFFFAOYSA-N
MW201.19 g/mol
LogP-0.01
Rot. Bonds

About 3-amino-5H-triazino[5,4-b]indol-4-one

3-amino-5H-triazino[5,4-b]indol-4-one (PubChem CID 135596582) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-amino-5H-triazino[5,4-b]indol-4-one.

Molecular Properties

Compound Name3-amino-5H-triazino[5,4-b]indol-4-one
PubChem CID135596582
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name3-amino-5H-triazino[5,4-b]indol-4-one
SMILESNn1nnc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C9H7N5O/c10-14-9(15)8-7(12-13-14)5-3-1-2-4-6(5)11-8/h1-4,11H,10H2
InChIKeyIUANTOZKALGXMS-UHFFFAOYSA-N
XLogP-0.01
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5H-triazino[5,4-b]indol-4-one?
The IUPAC name of 3-amino-5H-triazino[5,4-b]indol-4-one (CID 135596582) is 3-amino-5H-triazino[5,4-b]indol-4-one.
What is the SMILES notation for 3-amino-5H-triazino[5,4-b]indol-4-one?
The canonical SMILES for 3-amino-5H-triazino[5,4-b]indol-4-one is Nn1nnc2c([nH]c3ccccc32)c1=O.
What is the InChIKey of 3-amino-5H-triazino[5,4-b]indol-4-one?
The InChIKey is IUANTOZKALGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-14-9(15)8-7(12-13-14)5-3-1-2-4-6(5)11-8/h1-4,11H,10H2.
What are the key properties of 3-amino-5H-triazino[5,4-b]indol-4-one?
3-amino-5H-triazino[5,4-b]indol-4-one has a molecular weight of 201.19 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5H-triazino[5,4-b]indol-4-one is sourced from PubChem (CID 135596582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).