N-propyl-1H-1,2,4-triazole-5-sulfonamide

C5H10N4O2S — CID 59312701

IUPACN-propyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C5H10N4O2S/c1-2-3-8-12(10,11)5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H,6,7,9)
InChIKeyUOABXEKQCODXET-UHFFFAOYSA-N
MW190.23 g/mol
LogP-0.51
Rot. Bonds4

About N-propyl-1H-1,2,4-triazole-5-sulfonamide

N-propyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 59312701) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is N-propyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN-propyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID59312701
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC NameN-propyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C5H10N4O2S/c1-2-3-8-12(10,11)5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H,6,7,9)
InChIKeyUOABXEKQCODXET-UHFFFAOYSA-N
XLogP-0.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N-propyl-1H-1,2,4-triazole-5-sulfonamide (CID 59312701) is N-propyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N-propyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N-propyl-1H-1,2,4-triazole-5-sulfonamide is CCCNS(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N-propyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is UOABXEKQCODXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-2-3-8-12(10,11)5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H,6,7,9).
What are the key properties of N-propyl-1H-1,2,4-triazole-5-sulfonamide?
N-propyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 190.23 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 59312701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).