2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C19H23N5O2S — CID 26433733

IUPAC2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)nc2n1
InChIInChI=1S/C19H23N5O2S/c1-14-12-15(2)24-18(20-14)21-19(22-24)27(25,26)23-10-8-17(9-11-23)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyFWJGBDXISRPBCY-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.38
Rot. Bonds4

About 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 26433733) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID26433733
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)nc2n1
InChIInChI=1S/C19H23N5O2S/c1-14-12-15(2)24-18(20-14)21-19(22-24)27(25,26)23-10-8-17(9-11-23)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyFWJGBDXISRPBCY-UHFFFAOYSA-N
XLogP2.38
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 571797
4-benzyl-1-(chloromethylsulfonyl)piperidine
CID 63666156
4-benzyl-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 86807998
7-(4-benzylpiperidin-1-yl)sulfonyl-2-ethyl-4-methylpyrrolo[1,2-d][1,2,4]triazin-1-one
CID 53176108
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 87025761
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
2-benzylsulfonyl-7-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2766512
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine
CID 39977519
4-benzyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidine
CID 46573482
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 26433733) is 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)nc2n1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FWJGBDXISRPBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14-12-15(2)24-18(20-14)21-19(22-24)27(25,26)23-10-8-17(9-11-23)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 385.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)sulfonyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 26433733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).