N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C17H21N5O2S — CID 1242591

IUPACN-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
InChIInChI=1S/C17H21N5O2S/c1-5-21(11-15-9-7-6-8-10-15)25(23,24)17-19-16-18-13(3)12(2)14(4)22(16)20-17/h6-10H,5,11H2,1-4H3
InChIKeyUKCUJWJPFHYFNX-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.26
Rot. Bonds5

About N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 1242591) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID1242591
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
InChIInChI=1S/C17H21N5O2S/c1-5-21(11-15-9-7-6-8-10-15)25(23,24)17-19-16-18-13(3)12(2)14(4)22(16)20-17/h6-10H,5,11H2,1-4H3
InChIKeyUKCUJWJPFHYFNX-UHFFFAOYSA-N
XLogP2.26
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 1242591) is N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1.
What is the InChIKey of N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is UKCUJWJPFHYFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-5-21(11-15-9-7-6-8-10-15)25(23,24)17-19-16-18-13(3)12(2)14(4)22(16)20-17/h6-10H,5,11H2,1-4H3.
What are the key properties of N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 359.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 1242591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).