8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H19N5OS — CID 91420469

IUPAC8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)c1ccc(-c2cccn3nc(NCCc4ccccn4)nc23)cc1
InChIInChI=1S/C20H19N5OS/c1-27(26)17-9-7-15(8-10-17)18-6-4-14-25-19(18)23-20(24-25)22-13-11-16-5-2-3-12-21-16/h2-10,12,14H,11,13H2,1H3,(H,22,24)
InChIKeyBORWHMAFFWNYOG-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.18
Rot. Bonds6

About 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 91420469) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID91420469
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)c1ccc(-c2cccn3nc(NCCc4ccccn4)nc23)cc1
InChIInChI=1S/C20H19N5OS/c1-27(26)17-9-7-15(8-10-17)18-6-4-14-25-19(18)23-20(24-25)22-13-11-16-5-2-3-12-21-16/h2-10,12,14H,11,13H2,1H3,(H,22,24)
InChIKeyBORWHMAFFWNYOG-UHFFFAOYSA-N
XLogP3.18
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 162098648
2-methyl-1-[4-[3-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 91158260
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929612
2-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155900200
ethyl 4-[2-[4-(2-pyridin-2-ylethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434878
6-[2-[(dimethylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)quinazolin-2-amine
CID 58829409
1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
2-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyridine-2,3,4,5-tetramine
CID 67182756
2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
CID 10158321
2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 70929544

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 91420469) is 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)c1ccc(-c2cccn3nc(NCCc4ccccn4)nc23)cc1.
What is the InChIKey of 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BORWHMAFFWNYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-27(26)17-9-7-15(8-10-17)18-6-4-14-25-19(18)23-20(24-25)22-13-11-16-5-2-3-12-21-16/h2-10,12,14H,11,13H2,1H3,(H,22,24).
What are the key properties of 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 91420469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).