6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid

C6H3ClN4O2 — CID 83880375

IUPAC6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid
SMILESO=C(O)c1nc2nnccn2c1Cl
InChIInChI=1S/C6H3ClN4O2/c7-4-3(5(12)13)9-6-10-8-1-2-11(4)6/h1-2H,(H,12,13)
InChIKeyBUOWIAWFLCHFLQ-UHFFFAOYSA-N
MW198.57 g/mol
LogP0.48
Rot. Bonds1

About 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid

6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid (PubChem CID 83880375) has the molecular formula C6H3ClN4O2 and a molecular weight of 198.57 g/mol. Its IUPAC name is 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid
PubChem CID83880375
Molecular FormulaC6H3ClN4O2
Molecular Weight198.57 g/mol
Exact Mass197.99
IUPAC Name6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid
SMILESO=C(O)c1nc2nnccn2c1Cl
InChIInChI=1S/C6H3ClN4O2/c7-4-3(5(12)13)9-6-10-8-1-2-11(4)6/h1-2H,(H,12,13)
InChIKeyBUOWIAWFLCHFLQ-UHFFFAOYSA-N
XLogP0.48
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid (CID 83880375) is 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid is O=C(O)c1nc2nnccn2c1Cl.
What is the InChIKey of 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid?
The InChIKey is BUOWIAWFLCHFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O2/c7-4-3(5(12)13)9-6-10-8-1-2-11(4)6/h1-2H,(H,12,13).
What are the key properties of 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid?
6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid has a molecular weight of 198.57 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 83880375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).