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

Name: N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₇N₅O₂S — CID 706075

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID	706075
Molecular Formula	C₁₅H₁₇N₅O₂S
Molecular Weight	331.40 g/mol
Exact Mass	331.11
IUPAC Name	N-benzyl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILES	Cc1cc(C)n2nc(S(=O)(=O)N(C)Cc3ccccc3)nc2n1
InChI	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
InChIKey	KPICISXJJTZPBP-UHFFFAOYSA-N
XLogP	1.56
TPSA	80.46 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.40
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 706075 — identifiers, structure, computed properties (public domain)

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