3-amino-1H-1,2,4-triazole-5-sulfonyl chloride

C2H3ClN4O2S — CID 11063062

IUPAC3-amino-1H-1,2,4-triazole-5-sulfonyl chloride
SMILESNc1n[nH]c(S(=O)(=O)Cl)n1
InChIInChI=1S/C2H3ClN4O2S/c3-10(8,9)2-5-1(4)6-7-2/h(H3,4,5,6,7)
InChIKeyDEJGAOOTMIMNDX-UHFFFAOYSA-N
MW182.59 g/mol
LogP-0.69
Rot. Bonds1

About 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride

3-amino-1H-1,2,4-triazole-5-sulfonyl chloride (PubChem CID 11063062) has the molecular formula C2H3ClN4O2S and a molecular weight of 182.59 g/mol. Its IUPAC name is 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-amino-1H-1,2,4-triazole-5-sulfonyl chloride
PubChem CID11063062
Molecular FormulaC2H3ClN4O2S
Molecular Weight182.59 g/mol
Exact Mass181.97
IUPAC Name3-amino-1H-1,2,4-triazole-5-sulfonyl chloride
SMILESNc1n[nH]c(S(=O)(=O)Cl)n1
InChIInChI=1S/C2H3ClN4O2S/c3-10(8,9)2-5-1(4)6-7-2/h(H3,4,5,6,7)
InChIKeyDEJGAOOTMIMNDX-UHFFFAOYSA-N
XLogP-0.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.59
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride?
The IUPAC name of 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride (CID 11063062) is 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride.
What is the SMILES notation for 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride?
The canonical SMILES for 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride is Nc1n[nH]c(S(=O)(=O)Cl)n1.
What is the InChIKey of 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride?
The InChIKey is DEJGAOOTMIMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClN4O2S/c3-10(8,9)2-5-1(4)6-7-2/h(H3,4,5,6,7).
What are the key properties of 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride?
3-amino-1H-1,2,4-triazole-5-sulfonyl chloride has a molecular weight of 182.59 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-1,2,4-triazole-5-sulfonyl chloride is sourced from PubChem (CID 11063062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).