5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H19N5O2S — CID 755820

IUPAC5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(S(=O)(=O)N3CCCCC3)nn2c(C)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)14-12-15-13(16-18(12)11(9)3)21(19,20)17-7-5-4-6-8-17/h4-8H2,1-3H3
InChIKeyOBXRETBCTICHAM-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.22
Rot. Bonds2

About 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 755820) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID755820
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(S(=O)(=O)N3CCCCC3)nn2c(C)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)14-12-15-13(16-18(12)11(9)3)21(19,20)17-7-5-4-6-8-17/h4-8H2,1-3H3
InChIKeyOBXRETBCTICHAM-UHFFFAOYSA-N
XLogP1.22
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dimethyl-N,N-dipropyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 715197
5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 714971
N,N-Diethyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 551849
5,6,7-trimethyl-N,N-dipropyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 706958
5,6,7-trimethyl-N-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 755822
5,6,7-Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonic acid allylamide
CID 3924402
5,6,7-Trimethyl-2-[(4-methylpiperidin-1-yl)sulfonyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 4044358
N,N-diethyl-5,6,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 4211849
5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 4234556
5,6,7-Trimethyl-2-(morpholin-4-ylsulfonyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 672106
N,N-diallyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 706474
5,6,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 600789

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 755820) is 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(S(=O)(=O)N3CCCCC3)nn2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OBXRETBCTICHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-10(2)14-12-15-13(16-18(12)11(9)3)21(19,20)17-7-5-4-6-8-17/h4-8H2,1-3H3.
What are the key properties of 5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,6,7-trimethyl-2-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 309.40 g/mol, XLogP of 1.22, 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-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 755820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).