2H-triazolo[4,5-d]pyrimidine-5-sulfonamide

C4H4N6O2S — CID 66584497

IUPAC2H-triazolo[4,5-d]pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1ncc2n[nH]nc2n1
InChIInChI=1S/C4H4N6O2S/c5-13(11,12)4-6-1-2-3(7-4)9-10-8-2/h1H,(H2,5,11,12)(H,6,7,8,9,10)
InChIKeyNGBMMSDIZNGAOK-UHFFFAOYSA-N
MW200.18 g/mol
LogP-1.60
Rot. Bonds1

About 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide

2H-triazolo[4,5-d]pyrimidine-5-sulfonamide (PubChem CID 66584497) has the molecular formula C4H4N6O2S and a molecular weight of 200.18 g/mol. Its IUPAC name is 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2H-triazolo[4,5-d]pyrimidine-5-sulfonamide
PubChem CID66584497
Molecular FormulaC4H4N6O2S
Molecular Weight200.18 g/mol
Exact Mass200.01
IUPAC Name2H-triazolo[4,5-d]pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1ncc2n[nH]nc2n1
InChIInChI=1S/C4H4N6O2S/c5-13(11,12)4-6-1-2-3(7-4)9-10-8-2/h1H,(H2,5,11,12)(H,6,7,8,9,10)
InChIKeyNGBMMSDIZNGAOK-UHFFFAOYSA-N
XLogP-1.60
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide?
The IUPAC name of 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide (CID 66584497) is 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide?
The canonical SMILES for 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide is NS(=O)(=O)c1ncc2n[nH]nc2n1.
What is the InChIKey of 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide?
The InChIKey is NGBMMSDIZNGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6O2S/c5-13(11,12)4-6-1-2-3(7-4)9-10-8-2/h1H,(H2,5,11,12)(H,6,7,8,9,10).
What are the key properties of 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide?
2H-triazolo[4,5-d]pyrimidine-5-sulfonamide has a molecular weight of 200.18 g/mol, XLogP of -1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazolo[4,5-d]pyrimidine-5-sulfonamide is sourced from PubChem (CID 66584497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).