6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H16N4OS — CID 113487734

IUPAC6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc2nc(NCCCS(C)=O)nn2c1
InChIInChI=1S/C11H16N4OS/c1-9-4-5-10-13-11(14-15(10)8-9)12-6-3-7-17(2)16/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyOFBQGDISTIIGAB-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.22
Rot. Bonds5

About 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 113487734) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID113487734
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc2nc(NCCCS(C)=O)nn2c1
InChIInChI=1S/C11H16N4OS/c1-9-4-5-10-13-11(14-15(10)8-9)12-6-3-7-17(2)16/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyOFBQGDISTIIGAB-UHFFFAOYSA-N
XLogP1.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.22
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

6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106012435
2-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethylurea
CID 83113923
6-methyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113450398
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107850992
6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82872735
2-(methylamino)-N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 110470482
[1-[[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]cyclopropyl]methanol
CID 113313323
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 105419003
N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115620446
1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-phenylurea
CID 110472243
4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
CID 106580561
2-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 83816027

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 113487734) is 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccc2nc(NCCCS(C)=O)nn2c1.
What is the InChIKey of 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OFBQGDISTIIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-9-4-5-10-13-11(14-15(10)8-9)12-6-3-7-17(2)16/h4-5,8H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 252.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 113487734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).