7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H11N5OS — CID 2545222

IUPAC7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCc3cccs3)nn12
InChIInChI=1S/C12H11N5OS/c1-8-4-5-13-12-15-10(16-17(8)12)11(18)14-7-9-3-2-6-19-9/h2-6H,7H2,1H3,(H,14,18)
InChIKeyKRSHWKACGFYJDZ-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.42
Rot. Bonds3

About 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2545222) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2545222
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCc3cccs3)nn12
InChIInChI=1S/C12H11N5OS/c1-8-4-5-13-12-15-10(16-17(8)12)11(18)14-7-9-3-2-6-19-9/h2-6H,7H2,1H3,(H,14,18)
InChIKeyKRSHWKACGFYJDZ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2545222) is 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCc3cccs3)nn12.
What is the InChIKey of 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KRSHWKACGFYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-8-4-5-13-12-15-10(16-17(8)12)11(18)14-7-9-3-2-6-19-9/h2-6H,7H2,1H3,(H,14,18).
What are the key properties of 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2545222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).