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

C15H17N5O2S — CID 706075

IUPACN-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)N(C)Cc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5O2S/c1-11-9-12(2)20-14(16-11)17-15(18-20)23(21,22)19(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyKPICISXJJTZPBP-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.56
Rot. Bonds4

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

N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 706075) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID706075
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)N(C)Cc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5O2S/c1-11-9-12(2)20-14(16-11)17-15(18-20)23(21,22)19(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyKPICISXJJTZPBP-UHFFFAOYSA-N
XLogP1.56
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 706075) is N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)N(C)Cc3ccccc3)nc2n1.
What is the InChIKey of N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is KPICISXJJTZPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-11-9-12(2)20-14(16-11)17-15(18-20)23(21,22)19(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3.
What are the key properties of N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 706075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).