N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine

C5H11N5O2S — CID 114810082

IUPACN-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCCNS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H11N5O2S/c1-2-3-8-13(11,12)10-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H2,6,7,9,10)
InChIKeySTCQJKBIJBQLMC-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.54
Rot. Bonds5

About N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine

N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810082) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810082
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC NameN-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCCCNS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H11N5O2S/c1-2-3-8-13(11,12)10-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H2,6,7,9,10)
InChIKeySTCQJKBIJBQLMC-UHFFFAOYSA-N
XLogP-0.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810082) is N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine is CCCNS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is STCQJKBIJBQLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-2-3-8-13(11,12)10-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H2,6,7,9,10).
What are the key properties of N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine?
N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).