(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol

C20H18N4O3S — CID 121260936

IUPAC(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol
SMILESO=S(=O)(c1ccccc1)c1ccc2nc(NC[C@H](O)c3ccccc3)nn2c1
InChIInChI=1S/C20H18N4O3S/c25-18(15-7-3-1-4-8-15)13-21-20-22-19-12-11-17(14-24(19)23-20)28(26,27)16-9-5-2-6-10-16/h1-12,14,18,25H,13H2,(H,21,23)/t18-/m0/s1
InChIKeyABIWPNNJHLKKRH-SFHVURJKSA-N
MW394.46 g/mol
LogP2.71
Rot. Bonds6

About (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol

(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol (PubChem CID 121260936) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol
PubChem CID121260936
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol
SMILESO=S(=O)(c1ccccc1)c1ccc2nc(NC[C@H](O)c3ccccc3)nn2c1
InChIInChI=1S/C20H18N4O3S/c25-18(15-7-3-1-4-8-15)13-21-20-22-19-12-11-17(14-24(19)23-20)28(26,27)16-9-5-2-6-10-16/h1-12,14,18,25H,13H2,(H,21,23)/t18-/m0/s1
InChIKeyABIWPNNJHLKKRH-SFHVURJKSA-N
XLogP2.71
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol (CID 121260936) is (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol is O=S(=O)(c1ccccc1)c1ccc2nc(NC[C@H](O)c3ccccc3)nn2c1.
What is the InChIKey of (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol?
The InChIKey is ABIWPNNJHLKKRH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N4O3S/c25-18(15-7-3-1-4-8-15)13-21-20-22-19-12-11-17(14-24(19)23-20)28(26,27)16-9-5-2-6-10-16/h1-12,14,18,25H,13H2,(H,21,23)/t18-/m0/s1.
What are the key properties of (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol?
(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol has a molecular weight of 394.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol is sourced from PubChem (CID 121260936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).