1H-pyrazole;2H-tetrazol-5-ylsulfonylurea

C5H8N8O3S — CID 23192232

IUPAC1H-pyrazole;2H-tetrazol-5-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1nn[nH]n1.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H4N6O3S/c1-2-4-5-3-1;3-1(9)6-12(10,11)2-4-7-8-5-2/h1-3H,(H,4,5);(H3,3,6,9)(H,4,5,7,8)
InChIKeySHHMKRDZUOZZOF-UHFFFAOYSA-N
MW260.24 g/mol
LogP-2.03
Rot. Bonds2

About 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea

1H-pyrazole;2H-tetrazol-5-ylsulfonylurea (PubChem CID 23192232) has the molecular formula C5H8N8O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea.

Molecular Properties

Compound Name1H-pyrazole;2H-tetrazol-5-ylsulfonylurea
PubChem CID23192232
Molecular FormulaC5H8N8O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC Name1H-pyrazole;2H-tetrazol-5-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)c1nn[nH]n1.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H4N6O3S/c1-2-4-5-3-1;3-1(9)6-12(10,11)2-4-7-8-5-2/h1-3H,(H,4,5);(H3,3,6,9)(H,4,5,7,8)
InChIKeySHHMKRDZUOZZOF-UHFFFAOYSA-N
XLogP-2.03
TPSA172.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea?
The IUPAC name of 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea (CID 23192232) is 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea.
What is the SMILES notation for 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea?
The canonical SMILES for 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea is NC(=O)NS(=O)(=O)c1nn[nH]n1.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea?
The InChIKey is SHHMKRDZUOZZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H4N6O3S/c1-2-4-5-3-1;3-1(9)6-12(10,11)2-4-7-8-5-2/h1-3H,(H,4,5);(H3,3,6,9)(H,4,5,7,8).
What are the key properties of 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea?
1H-pyrazole;2H-tetrazol-5-ylsulfonylurea has a molecular weight of 260.24 g/mol, XLogP of -2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;2H-tetrazol-5-ylsulfonylurea is sourced from PubChem (CID 23192232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).