N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C15H19N5O2S — CID 2102837

IUPACN-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H19N5O2S/c21-13(17-14(22)16-11-6-2-1-3-7-11)10-23-15-19-18-12-8-4-5-9-20(12)15/h4-5,8-9,11H,1-3,6-7,10H2,(H2,16,17,21,22)
InChIKeyDTLBEECKWPZIRS-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.98
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 2102837) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID2102837
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H19N5O2S/c21-13(17-14(22)16-11-6-2-1-3-7-11)10-23-15-19-18-12-8-4-5-9-20(12)15/h4-5,8-9,11H,1-3,6-7,10H2,(H2,16,17,21,22)
InChIKeyDTLBEECKWPZIRS-UHFFFAOYSA-N
XLogP1.98
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 2102837) is N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is O=C(CSc1nnc2ccccn12)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is DTLBEECKWPZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-13(17-14(22)16-11-6-2-1-3-7-11)10-23-15-19-18-12-8-4-5-9-20(12)15/h4-5,8-9,11H,1-3,6-7,10H2,(H2,16,17,21,22).
What are the key properties of N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 333.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 2102837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).