7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H18N6O2S — CID 75474277

IUPAC7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n2ncnc2n1
InChIInChI=1S/C17H18N6O2S/c1-12-8-16(23-17(20-12)18-11-19-23)21-9-14(10-21)26(24,25)22-7-6-13-4-2-3-5-15(13)22/h2-5,8,11,14H,6-7,9-10H2,1H3
InChIKeyCSOYIYGXCGVKND-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.01
Rot. Bonds3

About 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75474277) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75474277
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n2ncnc2n1
InChIInChI=1S/C17H18N6O2S/c1-12-8-16(23-17(20-12)18-11-19-23)21-9-14(10-21)26(24,25)22-7-6-13-4-2-3-5-15(13)22/h2-5,8,11,14H,6-7,9-10H2,1H3
InChIKeyCSOYIYGXCGVKND-UHFFFAOYSA-N
XLogP1.01
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75474277) is 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n2ncnc2n1.
What is the InChIKey of 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CSOYIYGXCGVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-12-8-16(23-17(20-12)18-11-19-23)21-9-14(10-21)26(24,25)22-7-6-13-4-2-3-5-15(13)22/h2-5,8,11,14H,6-7,9-10H2,1H3.
What are the key properties of 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 370.44 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75474277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).