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

C16H17N5OS — CID 58894125

IUPACN-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc2nccc(-c3cccs3)n2n1)C1CCCCC1
InChIInChI=1S/C16H17N5OS/c22-14(11-5-2-1-3-6-11)18-15-19-16-17-9-8-12(21(16)20-15)13-7-4-10-23-13/h4,7-11H,1-3,5-6H2,(H,18,20,22)
InChIKeyKQGYESPSIHMSCH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.37
Rot. Bonds3

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

N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide (PubChem CID 58894125) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
PubChem CID58894125
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc2nccc(-c3cccs3)n2n1)C1CCCCC1
InChIInChI=1S/C16H17N5OS/c22-14(11-5-2-1-3-6-11)18-15-19-16-17-9-8-12(21(16)20-15)13-7-4-10-23-13/h4,7-11H,1-3,5-6H2,(H,18,20,22)
InChIKeyKQGYESPSIHMSCH-UHFFFAOYSA-N
XLogP3.37
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.37
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)cyclohexanecarboxamide?
The IUPAC name of N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide (CID 58894125) is N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide is O=C(Nc1nc2nccc(-c3cccs3)n2n1)C1CCCCC1.
What is the InChIKey of N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
The InChIKey is KQGYESPSIHMSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-14(11-5-2-1-3-6-11)18-15-19-16-17-9-8-12(21(16)20-15)13-7-4-10-23-13/h4,7-11H,1-3,5-6H2,(H,18,20,22).
What are the key properties of N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
N-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.37, 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)cyclohexanecarboxamide is sourced from PubChem (CID 58894125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).