5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C16H27N5O2S — CID 4234556

IUPAC5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nn2c(C)c1C
InChIInChI=1S/C16H27N5O2S/c1-10(2)8-20(9-11(3)4)24(22,23)16-18-15-17-13(6)12(5)14(7)21(15)19-16/h10-11H,8-9H2,1-7H3
InChIKeyCGBYCTBOGRPMTL-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.35
Rot. Bonds6

About 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 4234556) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID4234556
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nn2c(C)c1C
InChIInChI=1S/C16H27N5O2S/c1-10(2)8-20(9-11(3)4)24(22,23)16-18-15-17-13(6)12(5)14(7)21(15)19-16/h10-11H,8-9H2,1-7H3
InChIKeyCGBYCTBOGRPMTL-UHFFFAOYSA-N
XLogP2.35
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide with MolForge

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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-2-(piperidin-1-ylsulfonyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 755820
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-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
6-Fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 19802985

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 4234556) is 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1nc2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nn2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is CGBYCTBOGRPMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-10(2)8-20(9-11(3)4)24(22,23)16-18-15-17-13(6)12(5)14(7)21(15)19-16/h10-11H,8-9H2,1-7H3.
What are the key properties of 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 4234556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).