N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

C12H11N5OS — CID 58894131

IUPACN-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C12H11N5OS/c1-2-10(18)14-11-15-12-13-6-5-8(17(12)16-11)9-4-3-7-19-9/h3-7H,2H2,1H3,(H,14,16,18)
InChIKeyCEMIXSVHCBLFMI-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.20
Rot. Bonds3

About N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 58894131) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID58894131
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC NameN-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C12H11N5OS/c1-2-10(18)14-11-15-12-13-6-5-8(17(12)16-11)9-4-3-7-19-9/h3-7H,2H2,1H3,(H,14,16,18)
InChIKeyCEMIXSVHCBLFMI-UHFFFAOYSA-N
XLogP2.20
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 58894131) is N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is CCC(=O)Nc1nc2nccc(-c3cccs3)n2n1.
What is the InChIKey of N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is CEMIXSVHCBLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-2-10(18)14-11-15-12-13-6-5-8(17(12)16-11)9-4-3-7-19-9/h3-7H,2H2,1H3,(H,14,16,18).
What are the key properties of N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 273.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 58894131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).