2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide

C13H19N5OS — CID 62848602

IUPAC2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
SMILESCCNC(C)(CCSc1nnc2ccccn12)C(N)=O
InChIInChI=1S/C13H19N5OS/c1-3-15-13(2,11(14)19)7-9-20-12-17-16-10-6-4-5-8-18(10)12/h4-6,8,15H,3,7,9H2,1-2H3,(H2,14,19)
InChIKeyAMIUUNUULSJREH-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.07
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide

2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide (PubChem CID 62848602) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
PubChem CID62848602
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
SMILESCCNC(C)(CCSc1nnc2ccccn12)C(N)=O
InChIInChI=1S/C13H19N5OS/c1-3-15-13(2,11(14)19)7-9-20-12-17-16-10-6-4-5-8-18(10)12/h4-6,8,15H,3,7,9H2,1-2H3,(H2,14,19)
InChIKeyAMIUUNUULSJREH-UHFFFAOYSA-N
XLogP1.07
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-(methylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 62851071
2-amino-2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 62850363
2-(cyclopropylamino)-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 62850901
N'-hydroxy-2,2-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 77062459
2-methyl-2-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentan-1-ol
CID 64808604
2-amino-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 62850185
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 15627151
ethyl 3-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate
CID 60626192
2-cyclopropyl-2-(ethylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 63919869
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
N-(2-cyano-3-methylbutan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 5114948
2-(cyclopropylamino)-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 62848949

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide (CID 62848602) is 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide is CCNC(C)(CCSc1nnc2ccccn12)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide?
The InChIKey is AMIUUNUULSJREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-15-13(2,11(14)19)7-9-20-12-17-16-10-6-4-5-8-18(10)12/h4-6,8,15H,3,7,9H2,1-2H3,(H2,14,19).
What are the key properties of 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide?
2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide has a molecular weight of 293.40 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide is sourced from PubChem (CID 62848602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).