N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide

C12H11N5OS — CID 23607315

IUPACN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)n2nc(NC(=O)c3cccs3)nc2n1
InChIInChI=1S/C12H11N5OS/c1-7-6-8(2)17-12(13-7)15-11(16-17)14-10(18)9-4-3-5-19-9/h3-6H,1-2H3,(H,14,16,18)
InChIKeyPUIJJLDPPYTQAL-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.05
Rot. Bonds2

About N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide

N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide (PubChem CID 23607315) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
PubChem CID23607315
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)n2nc(NC(=O)c3cccs3)nc2n1
InChIInChI=1S/C12H11N5OS/c1-7-6-8(2)17-12(13-7)15-11(16-17)14-10(18)9-4-3-5-19-9/h3-6H,1-2H3,(H,14,16,18)
InChIKeyPUIJJLDPPYTQAL-UHFFFAOYSA-N
XLogP2.05
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide (CID 23607315) is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide is Cc1cc(C)n2nc(NC(=O)c3cccs3)nc2n1.
What is the InChIKey of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide?
The InChIKey is PUIJJLDPPYTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-7-6-8(2)17-12(13-7)15-11(16-17)14-10(18)9-4-3-5-19-9/h3-6H,1-2H3,(H,14,16,18).
What are the key properties of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide?
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 23607315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).