4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

C7H5N3O3 — CID 135752495

IUPAC4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESO=C(O)c1cc2c(=O)[nH]cnn2c1
InChIInChI=1S/C7H5N3O3/c11-6-5-1-4(7(12)13)2-10(5)9-3-8-6/h1-3H,(H,12,13)(H,8,9,11)
InChIKeyOJLSUKAKEXVXIM-UHFFFAOYSA-N
MW179.14 g/mol
LogP-0.28
Rot. Bonds1

About 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 135752495) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
PubChem CID135752495
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESO=C(O)c1cc2c(=O)[nH]cnn2c1
InChIInChI=1S/C7H5N3O3/c11-6-5-1-4(7(12)13)2-10(5)9-3-8-6/h1-3H,(H,12,13)(H,8,9,11)
InChIKeyOJLSUKAKEXVXIM-UHFFFAOYSA-N
XLogP-0.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Carbamoylpyridine-3-carboxylic acid
CID 258810
Ethyl 4-hydroxy-5-isopropylpyrrolo[1,2-F][1,2,4]triazine-6-carboxylate
CID 135410235
Methyl 5-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 135510278
4-carbamoyl-1-methyl-1H-pyrrole-2-carboxylic acid
CID 10352070
4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 135408952
5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylic acid
CID 16227482
4-carbamoyl-1H-pyrrole-2-carboxylic acid
CID 72125033
1-oxo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-8-carboxylic acid
CID 165668514
ethyl 1-oxo-1H,2H-pyrrolo(1,2-a)pyrazine-7-carboxylate
CID 165753287
1H-Pyrrole-2,4-dicarboxylic acid
CID 22280326
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448
Ethyl 1,4-dihydro-4-oxopyrrolo[2,1-f][1,2,4]triazine-5-carboxylate
CID 135742068

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The IUPAC name of 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 135752495) is 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.
What is the SMILES notation for 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The canonical SMILES for 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is O=C(O)c1cc2c(=O)[nH]cnn2c1.
What is the InChIKey of 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The InChIKey is OJLSUKAKEXVXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-6-5-1-4(7(12)13)2-10(5)9-3-8-6/h1-3H,(H,12,13)(H,8,9,11).
What are the key properties of 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 179.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 135752495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).