3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide

C10H9BrN4OS — CID 114388085

IUPAC3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2sccc2Br)nc1C
InChIInChI=1S/C10H9BrN4OS/c1-5-6(2)14-15-10(12-5)13-9(16)8-7(11)3-4-17-8/h3-4H,1-2H3,(H,12,13,15,16)
InChIKeyWMHHYCCHJIUYIR-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.56
Rot. Bonds2

About 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide

3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide (PubChem CID 114388085) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
PubChem CID114388085
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2sccc2Br)nc1C
InChIInChI=1S/C10H9BrN4OS/c1-5-6(2)14-15-10(12-5)13-9(16)8-7(11)3-4-17-8/h3-4H,1-2H3,(H,12,13,15,16)
InChIKeyWMHHYCCHJIUYIR-UHFFFAOYSA-N
XLogP2.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide (CID 114388085) is 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide is Cc1nnc(NC(=O)c2sccc2Br)nc1C.
What is the InChIKey of 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
The InChIKey is WMHHYCCHJIUYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c1-5-6(2)14-15-10(12-5)13-9(16)8-7(11)3-4-17-8/h3-4H,1-2H3,(H,12,13,15,16).
What are the key properties of 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide?
3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114388085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).