5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole

C6H13N5O2S — CID 62946478

IUPAC5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCC(C)N(C)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H13N5O2S/c1-5(2)11(3)14(12,13)10-6-7-4-8-9-6/h4-5H,1-3H3,(H2,7,8,9,10)
InChIKeyGDPNRBPGICNPAH-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.20
Rot. Bonds4

About 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole

5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole (PubChem CID 62946478) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
PubChem CID62946478
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC Name5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCC(C)N(C)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H13N5O2S/c1-5(2)11(3)14(12,13)10-6-7-4-8-9-6/h4-5H,1-3H3,(H2,7,8,9,10)
InChIKeyGDPNRBPGICNPAH-UHFFFAOYSA-N
XLogP-0.20
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The IUPAC name of 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole (CID 62946478) is 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole is CC(C)N(C)S(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
The InChIKey is GDPNRBPGICNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c1-5(2)11(3)14(12,13)10-6-7-4-8-9-6/h4-5H,1-3H3,(H2,7,8,9,10).
What are the key properties of 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole?
5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole has a molecular weight of 219.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-1,2,4-triazole is sourced from PubChem (CID 62946478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).