7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C15H15N5O2S — CID 92575438

IUPAC7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@H]1c1ccnc2ncnn12
InChIInChI=1S/C15H15N5O2S/c21-23(22,12-5-2-1-3-6-12)19-10-4-7-13(19)14-8-9-16-15-17-11-18-20(14)15/h1-3,5-6,8-9,11,13H,4,7,10H2/t13-/m0/s1
InChIKeyVXAZLPVFRDXJOE-ZDUSSCGKSA-N
MW329.38 g/mol
LogP1.65
Rot. Bonds3

About 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 92575438) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID92575438
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@H]1c1ccnc2ncnn12
InChIInChI=1S/C15H15N5O2S/c21-23(22,12-5-2-1-3-6-12)19-10-4-7-13(19)14-8-9-16-15-17-11-18-20(14)15/h1-3,5-6,8-9,11,13H,4,7,10H2/t13-/m0/s1
InChIKeyVXAZLPVFRDXJOE-ZDUSSCGKSA-N
XLogP1.65
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 92575438) is 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is O=S(=O)(c1ccccc1)N1CCC[C@H]1c1ccnc2ncnn12.
What is the InChIKey of 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VXAZLPVFRDXJOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-23(22,12-5-2-1-3-6-12)19-10-4-7-13(19)14-8-9-16-15-17-11-18-20(14)15/h1-3,5-6,8-9,11,13H,4,7,10H2/t13-/m0/s1.
What are the key properties of 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 329.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 92575438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).