N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

C16H16N4OS — CID 3984871

IUPACN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nnc3ccccn23)cc1
InChIInChI=1S/C16H16N4OS/c1-11-6-8-13(9-7-11)17-15(21)12(2)22-16-19-18-14-5-3-4-10-20(14)16/h3-10,12H,1-2H3,(H,17,21)
InChIKeyLXRWCWWEBXCVNG-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.16
Rot. Bonds4

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

N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide (PubChem CID 3984871) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
PubChem CID3984871
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nnc3ccccn23)cc1
InChIInChI=1S/C16H16N4OS/c1-11-6-8-13(9-7-11)17-15(21)12(2)22-16-19-18-14-5-3-4-10-20(14)16/h3-10,12H,1-2H3,(H,17,21)
InChIKeyLXRWCWWEBXCVNG-UHFFFAOYSA-N
XLogP3.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The IUPAC name of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide (CID 3984871) is N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide is Cc1ccc(NC(=O)C(C)Sc2nnc3ccccn23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The InChIKey is LXRWCWWEBXCVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-6-8-13(9-7-11)17-15(21)12(2)22-16-19-18-14-5-3-4-10-20(14)16/h3-10,12H,1-2H3,(H,17,21).
What are the key properties of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide has a molecular weight of 312.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide is sourced from PubChem (CID 3984871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).