5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid

C11H10N4O3S — CID 114388882

IUPAC5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1nnc(NC(=O)c2ccc(C(=O)O)s2)nc1C
InChIInChI=1S/C11H10N4O3S/c1-5-6(2)14-15-11(12-5)13-9(16)7-3-4-8(19-7)10(17)18/h3-4H,1-2H3,(H,17,18)(H,12,13,15,16)
InChIKeyMNCCUSUSNZCEJI-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.50
Rot. Bonds3

About 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid

5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 114388882) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID114388882
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1nnc(NC(=O)c2ccc(C(=O)O)s2)nc1C
InChIInChI=1S/C11H10N4O3S/c1-5-6(2)14-15-11(12-5)13-9(16)7-3-4-8(19-7)10(17)18/h3-4H,1-2H3,(H,17,18)(H,12,13,15,16)
InChIKeyMNCCUSUSNZCEJI-UHFFFAOYSA-N
XLogP1.50
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid (CID 114388882) is 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid is Cc1nnc(NC(=O)c2ccc(C(=O)O)s2)nc1C.
What is the InChIKey of 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is MNCCUSUSNZCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-5-6(2)14-15-11(12-5)13-9(16)7-3-4-8(19-7)10(17)18/h3-4H,1-2H3,(H,17,18)(H,12,13,15,16).
What are the key properties of 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid?
5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114388882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).