6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid

C10H10N4O2 — CID 84618121

IUPAC6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid
SMILESCN(C)c1ccc2nnc(C(=O)O)nc2c1
InChIInChI=1S/C10H10N4O2/c1-14(2)6-3-4-7-8(5-6)11-9(10(15)16)13-12-7/h3-5H,1-2H3,(H,15,16)
InChIKeyZVCKEIFUBIOGGN-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.79
Rot. Bonds2

About 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid

6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid (PubChem CID 84618121) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid
PubChem CID84618121
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid
SMILESCN(C)c1ccc2nnc(C(=O)O)nc2c1
InChIInChI=1S/C10H10N4O2/c1-14(2)6-3-4-7-8(5-6)11-9(10(15)16)13-12-7/h3-5H,1-2H3,(H,15,16)
InChIKeyZVCKEIFUBIOGGN-UHFFFAOYSA-N
XLogP0.79
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid (CID 84618121) is 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid is CN(C)c1ccc2nnc(C(=O)O)nc2c1.
What is the InChIKey of 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid?
The InChIKey is ZVCKEIFUBIOGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14(2)6-3-4-7-8(5-6)11-9(10(15)16)13-12-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid?
6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,2,4-benzotriazine-3-carboxylic acid is sourced from PubChem (CID 84618121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).