5-propylsulfonyl-1H-1,2,4-triazol-3-amine

C5H10N4O2S — CID 9146329

IUPAC5-propylsulfonyl-1H-1,2,4-triazol-3-amine
SMILESCCCS(=O)(=O)c1nc(N)n[nH]1
InChIInChI=1S/C5H10N4O2S/c1-2-3-12(10,11)5-7-4(6)8-9-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyYHRZNUHIIXKQFC-UHFFFAOYSA-N
MW190.23 g/mol
LogP-0.43
Rot. Bonds3

About 5-propylsulfonyl-1H-1,2,4-triazol-3-amine

5-propylsulfonyl-1H-1,2,4-triazol-3-amine (PubChem CID 9146329) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is 5-propylsulfonyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-propylsulfonyl-1H-1,2,4-triazol-3-amine
PubChem CID9146329
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC Name5-propylsulfonyl-1H-1,2,4-triazol-3-amine
SMILESCCCS(=O)(=O)c1nc(N)n[nH]1
InChIInChI=1S/C5H10N4O2S/c1-2-3-12(10,11)5-7-4(6)8-9-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyYHRZNUHIIXKQFC-UHFFFAOYSA-N
XLogP-0.43
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propylsulfonyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-propylsulfonyl-1H-1,2,4-triazol-3-amine (CID 9146329) is 5-propylsulfonyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-propylsulfonyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-propylsulfonyl-1H-1,2,4-triazol-3-amine is CCCS(=O)(=O)c1nc(N)n[nH]1.
What is the InChIKey of 5-propylsulfonyl-1H-1,2,4-triazol-3-amine?
The InChIKey is YHRZNUHIIXKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-2-3-12(10,11)5-7-4(6)8-9-5/h2-3H2,1H3,(H3,6,7,8,9).
What are the key properties of 5-propylsulfonyl-1H-1,2,4-triazol-3-amine?
5-propylsulfonyl-1H-1,2,4-triazol-3-amine has a molecular weight of 190.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylsulfonyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 9146329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).