N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

C15H21N5OS — CID 719034

IUPACN-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(C)n2nc(SCC(=O)NC3CCCCC3)nc2n1
InChIInChI=1S/C15H21N5OS/c1-10-8-11(2)20-14(16-10)18-15(19-20)22-9-13(21)17-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,21)
InChIKeyGQKJQNXSSQKJGW-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.28
Rot. Bonds4

About N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 719034) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID719034
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(C)n2nc(SCC(=O)NC3CCCCC3)nc2n1
InChIInChI=1S/C15H21N5OS/c1-10-8-11(2)20-14(16-10)18-15(19-20)22-9-13(21)17-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,21)
InChIKeyGQKJQNXSSQKJGW-UHFFFAOYSA-N
XLogP2.28
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (CID 719034) is N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(C)n2nc(SCC(=O)NC3CCCCC3)nc2n1.
What is the InChIKey of N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is GQKJQNXSSQKJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-8-11(2)20-14(16-10)18-15(19-20)22-9-13(21)17-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,17,21).
What are the key properties of N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 719034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).