1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine

C17H18N8O2S — CID 129130482

IUPAC1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)c1ccc(-n2cnc(N)n2)nc1-c1nc2cc(C)cnc2n1C
InChIInChI=1S/C17H18N8O2S/c1-4-28(26,27)12-5-6-13(25-9-20-17(18)23-25)22-14(12)16-21-11-7-10(2)8-19-15(11)24(16)3/h5-9H,4H2,1-3H3,(H2,18,23)
InChIKeySWSWJDHQYJNDTF-UHFFFAOYSA-N
MW398.45 g/mol
LogP1.30
Rot. Bonds4

About 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine

1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine (PubChem CID 129130482) has the molecular formula C17H18N8O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine
PubChem CID129130482
Molecular FormulaC17H18N8O2S
Molecular Weight398.45 g/mol
Exact Mass398.13
IUPAC Name1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)c1ccc(-n2cnc(N)n2)nc1-c1nc2cc(C)cnc2n1C
InChIInChI=1S/C17H18N8O2S/c1-4-28(26,27)12-5-6-13(25-9-20-17(18)23-25)22-14(12)16-21-11-7-10(2)8-19-15(11)24(16)3/h5-9H,4H2,1-3H3,(H2,18,23)
InChIKeySWSWJDHQYJNDTF-UHFFFAOYSA-N
XLogP1.30
TPSA134.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine with MolForge

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Related Compounds

1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine
CID 129140353
2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 129130472
2-[6-(3-bromo-1,2,4-triazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140360
2-[6-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3,6-dimethyl-4-oxidoimidazo[4,5-b]pyridin-4-ium
CID 129130497
2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 158048184
2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethylsulfonyl)benzimidazole
CID 118616781
2-[3-ethylsulfonyl-1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275849
3-(4-chlorophenyl)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 178171012
N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide
CID 134167191
2-chloro-5-[1-[5-ethylsulfonyl-6-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-5-oxo-1,2,4-triazol-4-yl]benzonitrile
CID 166125324
2-(5-chloro-3-ethylsulfonyl-2-pyridinyl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine
CID 118581455
2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 58056806

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine (CID 129130482) is 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine is CCS(=O)(=O)c1ccc(-n2cnc(N)n2)nc1-c1nc2cc(C)cnc2n1C.
What is the InChIKey of 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine?
The InChIKey is SWSWJDHQYJNDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2S/c1-4-28(26,27)12-5-6-13(25-9-20-17(18)23-25)22-14(12)16-21-11-7-10(2)8-19-15(11)24(16)3/h5-9H,4H2,1-3H3,(H2,18,23).
What are the key properties of 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine?
1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine has a molecular weight of 398.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 129130482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).