1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C17H20N6OS — CID 44754071

IUPAC1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(N2CCCC(C(=O)NCc3cccs3)C2)n2ncnc2n1
InChIInChI=1S/C17H20N6OS/c1-12-8-15(23-17(21-12)19-11-20-23)22-6-2-4-13(10-22)16(24)18-9-14-5-3-7-25-14/h3,5,7-8,11,13H,2,4,6,9-10H2,1H3,(H,18,24)
InChIKeyCIVUDWUWNTYZGZ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.03
Rot. Bonds4

About 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 44754071) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID44754071
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(N2CCCC(C(=O)NCc3cccs3)C2)n2ncnc2n1
InChIInChI=1S/C17H20N6OS/c1-12-8-15(23-17(21-12)19-11-20-23)22-6-2-4-13(10-22)16(24)18-9-14-5-3-7-25-14/h3,5,7-8,11,13H,2,4,6,9-10H2,1H3,(H,18,24)
InChIKeyCIVUDWUWNTYZGZ-UHFFFAOYSA-N
XLogP2.03
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 44754071) is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is Cc1cc(N2CCCC(C(=O)NCc3cccs3)C2)n2ncnc2n1.
What is the InChIKey of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is CIVUDWUWNTYZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12-8-15(23-17(21-12)19-11-20-23)22-6-2-4-13(10-22)16(24)18-9-14-5-3-7-25-14/h3,5,7-8,11,13H,2,4,6,9-10H2,1H3,(H,18,24).
What are the key properties of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 44754071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).