6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid

C12H8N4O2 — CID 82388103

IUPAC6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
SMILESO=C(O)c1ncc(-c2c[nH]c3ccccc23)nn1
InChIInChI=1S/C12H8N4O2/c17-12(18)11-14-6-10(15-16-11)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,17,18)
InChIKeyVQLJIEYJQRMABD-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.72
Rot. Bonds2

About 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid

6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid (PubChem CID 82388103) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
PubChem CID82388103
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
SMILESO=C(O)c1ncc(-c2c[nH]c3ccccc23)nn1
InChIInChI=1S/C12H8N4O2/c17-12(18)11-14-6-10(15-16-11)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,17,18)
InChIKeyVQLJIEYJQRMABD-UHFFFAOYSA-N
XLogP1.72
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
5H-pyrimido[5,4-b]indole-2-carboxylic acid
CID 13321935
3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole
CID 139242602
3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid
CID 82304795
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole
CID 11747751
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
2-[5-(1H-indol-3-yl)pyrazin-2-yl]ethanamine
CID 82388672
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116878761
methane;3-phenyl-1H-indole
CID 167711687
4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
CID 82373555

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid?
The IUPAC name of 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid (CID 82388103) is 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid.
What is the SMILES notation for 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid?
The canonical SMILES for 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid is O=C(O)c1ncc(-c2c[nH]c3ccccc23)nn1.
What is the InChIKey of 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid?
The InChIKey is VQLJIEYJQRMABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12(18)11-14-6-10(15-16-11)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,17,18).
What are the key properties of 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid?
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid is sourced from PubChem (CID 82388103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).