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

C5H11N5O2S — CID 114810083

IUPACN-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCC(C)NS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H11N5O2S/c1-4(2)9-13(11,12)10-5-6-3-7-8-5/h3-4,9H,1-2H3,(H2,6,7,8,10)
InChIKeyHLEGBOKFMOEFFU-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.54
Rot. Bonds4

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

N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114810083) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114810083
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC NameN-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCC(C)NS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H11N5O2S/c1-4(2)9-13(11,12)10-5-6-3-7-8-5/h3-4,9H,1-2H3,(H2,6,7,8,10)
InChIKeyHLEGBOKFMOEFFU-UHFFFAOYSA-N
XLogP-0.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 114810084
N-propan-2-yl-1H-1,2,4-triazol-5-amine
CID 20738483
5-(dimethylsulfamoylamino)-1H-1,2,4-triazole
CID 21446385
N-(tert-butylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 54023603
N-propyl-1H-1,2,4-triazole-5-sulfonamide
CID 59312701
N'-propan-2-yl-1H-1,2,4-triazole-5-sulfonohydrazide
CID 130198470
N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide
CID 138623144
molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine
CID 159461935
5-(dipropylsulfamoylamino)-1H-1,2,4-triazole
CID 62945148
5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 62945492
5-[[butyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 62945495
5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
CID 62946478

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114810083) is N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine is CC(C)NS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is HLEGBOKFMOEFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-4(2)9-13(11,12)10-5-6-3-7-8-5/h3-4,9H,1-2H3,(H2,6,7,8,10).
What are the key properties of N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine?
N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114810083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).