6-ethyl-1,2,4-triazine-3-carboxylic acid

C6H7N3O2 — CID 53404915

IUPAC6-ethyl-1,2,4-triazine-3-carboxylic acid
SMILESCCc1cnc(C(=O)O)nn1
InChIInChI=1S/C6H7N3O2/c1-2-4-3-7-5(6(10)11)9-8-4/h3H,2H2,1H3,(H,10,11)
InChIKeyDODHZGORRQEZLG-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.13
Rot. Bonds2

About 6-ethyl-1,2,4-triazine-3-carboxylic acid

6-ethyl-1,2,4-triazine-3-carboxylic acid (PubChem CID 53404915) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-ethyl-1,2,4-triazine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1,2,4-triazine-3-carboxylic acid
PubChem CID53404915
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name6-ethyl-1,2,4-triazine-3-carboxylic acid
SMILESCCc1cnc(C(=O)O)nn1
InChIInChI=1S/C6H7N3O2/c1-2-4-3-7-5(6(10)11)9-8-4/h3H,2H2,1H3,(H,10,11)
InChIKeyDODHZGORRQEZLG-UHFFFAOYSA-N
XLogP0.13
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,2,4-triazine-3-carboxylic acid?
The IUPAC name of 6-ethyl-1,2,4-triazine-3-carboxylic acid (CID 53404915) is 6-ethyl-1,2,4-triazine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-1,2,4-triazine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-1,2,4-triazine-3-carboxylic acid is CCc1cnc(C(=O)O)nn1.
What is the InChIKey of 6-ethyl-1,2,4-triazine-3-carboxylic acid?
The InChIKey is DODHZGORRQEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-2-4-3-7-5(6(10)11)9-8-4/h3H,2H2,1H3,(H,10,11).
What are the key properties of 6-ethyl-1,2,4-triazine-3-carboxylic acid?
6-ethyl-1,2,4-triazine-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2,4-triazine-3-carboxylic acid is sourced from PubChem (CID 53404915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).