4-oxo-3H-1,2,3-benzotriazine-8-carboxamide

C8H6N4O2 — CID 135518053

IUPAC4-oxo-3H-1,2,3-benzotriazine-8-carboxamide
SMILESNC(=O)c1cccc2c(=O)[nH]nnc12
InChIInChI=1S/C8H6N4O2/c9-7(13)4-2-1-3-5-6(4)10-12-11-8(5)14/h1-3H,(H2,9,13)(H,10,11,14)
InChIKeyCFFIFXRBQJCGER-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.58
Rot. Bonds1

About 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide

4-oxo-3H-1,2,3-benzotriazine-8-carboxamide (PubChem CID 135518053) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide.

Molecular Properties

Compound Name4-oxo-3H-1,2,3-benzotriazine-8-carboxamide
PubChem CID135518053
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name4-oxo-3H-1,2,3-benzotriazine-8-carboxamide
SMILESNC(=O)c1cccc2c(=O)[nH]nnc12
InChIInChI=1S/C8H6N4O2/c9-7(13)4-2-1-3-5-6(4)10-12-11-8(5)14/h1-3H,(H2,9,13)(H,10,11,14)
InChIKeyCFFIFXRBQJCGER-UHFFFAOYSA-N
XLogP-0.58
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide?
The IUPAC name of 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide (CID 135518053) is 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide.
What is the SMILES notation for 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide?
The canonical SMILES for 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide is NC(=O)c1cccc2c(=O)[nH]nnc12.
What is the InChIKey of 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide?
The InChIKey is CFFIFXRBQJCGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-7(13)4-2-1-3-5-6(4)10-12-11-8(5)14/h1-3H,(H2,9,13)(H,10,11,14).
What are the key properties of 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide?
4-oxo-3H-1,2,3-benzotriazine-8-carboxamide has a molecular weight of 190.16 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-1,2,3-benzotriazine-8-carboxamide is sourced from PubChem (CID 135518053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).