5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H21N5O2S — CID 4044358

IUPAC5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(S(=O)(=O)N3CCC(C)CC3)nn2c(C)c1C
InChIInChI=1S/C14H21N5O2S/c1-9-5-7-18(8-6-9)22(20,21)14-16-13-15-11(3)10(2)12(4)19(13)17-14/h9H,5-8H2,1-4H3
InChIKeySZOWYJYKYDRBEV-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.47
Rot. Bonds2

About 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4044358) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4044358
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(S(=O)(=O)N3CCC(C)CC3)nn2c(C)c1C
InChIInChI=1S/C14H21N5O2S/c1-9-5-7-18(8-6-9)22(20,21)14-16-13-15-11(3)10(2)12(4)19(13)17-14/h9H,5-8H2,1-4H3
InChIKeySZOWYJYKYDRBEV-UHFFFAOYSA-N
XLogP1.47
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4044358) is 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(S(=O)(=O)N3CCC(C)CC3)nn2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SZOWYJYKYDRBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9-5-7-18(8-6-9)22(20,21)14-16-13-15-11(3)10(2)12(4)19(13)17-14/h9H,5-8H2,1-4H3.
What are the key properties of 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 323.42 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-2-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4044358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).