N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide

C11H13FN4OS — CID 71973134

IUPACN-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C11H13FN4OS/c1-18-6-2-3-10(17)14-11-13-9-5-4-8(12)7-16(9)15-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,17)
InChIKeyWLNJLODDRBKSRG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.95
Rot. Bonds5

About N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide

N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide (PubChem CID 71973134) has the molecular formula C11H13FN4OS and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide
PubChem CID71973134
Molecular FormulaC11H13FN4OS
Molecular Weight268.32 g/mol
Exact Mass268.08
IUPAC NameN-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C11H13FN4OS/c1-18-6-2-3-10(17)14-11-13-9-5-4-8(12)7-16(9)15-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,17)
InChIKeyWLNJLODDRBKSRG-UHFFFAOYSA-N
XLogP1.95
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropane-1,2-diamine
CID 115303641
2-(methylamino)-N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 110470482
N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 154806277
6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
CID 107850356
6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114174358
6-fluoro-N-octan-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026408
ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate
CID 110474210
3-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350714
6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106430620
6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114202601
N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 110472671
1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257640

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide (CID 71973134) is N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide is CSCCCC(=O)Nc1nc2ccc(F)cn2n1.
What is the InChIKey of N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is WLNJLODDRBKSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4OS/c1-18-6-2-3-10(17)14-11-13-9-5-4-8(12)7-16(9)15-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,17).
What are the key properties of N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide?
N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 268.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 71973134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).