4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

C7H4ClN3O2 — CID 154729332

IUPAC4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)ncnn2c1
InChIInChI=1S/C7H4ClN3O2/c8-6-5-1-4(7(12)13)2-11(5)10-3-9-6/h1-3H,(H,12,13)
InChIKeyKCOFGDYUAACFJL-UHFFFAOYSA-N
MW197.58 g/mol
LogP1.08
Rot. Bonds1

About 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 154729332) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

Compound Name4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
PubChem CID154729332
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)ncnn2c1
InChIInChI=1S/C7H4ClN3O2/c8-6-5-1-4(7(12)13)2-11(5)10-3-9-6/h1-3H,(H,12,13)
InChIKeyKCOFGDYUAACFJL-UHFFFAOYSA-N
XLogP1.08
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-anilinoanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 91243629
4-chloroimidazo[5,1-f][1,2,4]triazine;hydrochloride
CID 91655009
pyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 22473177
4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 91601147
4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt
CID 171921195
8-chloro-6-methylindolizine-2-carboxylic acid
CID 155716303
6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid
CID 10488205
4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 166171852
2-[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-4-carboxylic acid
CID 175580877
1-chloro-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83870930
5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
CID 84688788
6-chloro-5-fluoropyridine-3-carboxylic acid
CID 11513841

Frequently Asked Questions

What is the IUPAC name of 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The IUPAC name of 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 154729332) is 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.
What is the SMILES notation for 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The canonical SMILES for 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is O=C(O)c1cc2c(Cl)ncnn2c1.
What is the InChIKey of 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The InChIKey is KCOFGDYUAACFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-6-5-1-4(7(12)13)2-11(5)10-3-9-6/h1-3H,(H,12,13).
What are the key properties of 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 197.58 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 154729332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).