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

C4H6F3N5O2S — CID 114810084

IUPACN-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1ncn[nH]1
InChIInChI=1S/C4H6F3N5O2S/c5-4(6,7)1-10-15(13,14)12-3-8-2-9-11-3/h2,10H,1H2,(H2,8,9,11,12)
InChIKeyLWPHGADOCQFQPV-UHFFFAOYSA-N
MW245.19 g/mol
LogP-0.39
Rot. Bonds4

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

N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810084) has the molecular formula C4H6F3N5O2S and a molecular weight of 245.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810084
Molecular FormulaC4H6F3N5O2S
Molecular Weight245.19 g/mol
Exact Mass245.02
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1ncn[nH]1
InChIInChI=1S/C4H6F3N5O2S/c5-4(6,7)1-10-15(13,14)12-3-8-2-9-11-3/h2,10H,1H2,(H2,8,9,11,12)
InChIKeyLWPHGADOCQFQPV-UHFFFAOYSA-N
XLogP-0.39
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810084) is N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine is O=S(=O)(NCC(F)(F)F)Nc1ncn[nH]1.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is LWPHGADOCQFQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N5O2S/c5-4(6,7)1-10-15(13,14)12-3-8-2-9-11-3/h2,10H,1H2,(H2,8,9,11,12).
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 245.19 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).