3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide

C12H19N5O3S — CID 21324316

IUPAC3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide
SMILESC=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)N(C)CC)n1
InChIInChI=1S/C12H19N5O3S/c1-5-8-16(9-6-2)12(18)17-10-13-11(14-17)21(19,20)15(4)7-3/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyHJPBGLVPUCSVGA-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.56
Rot. Bonds7

About 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide

3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide (PubChem CID 21324316) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide
PubChem CID21324316
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide
SMILESC=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)N(C)CC)n1
InChIInChI=1S/C12H19N5O3S/c1-5-8-16(9-6-2)12(18)17-10-13-11(14-17)21(19,20)15(4)7-3/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyHJPBGLVPUCSVGA-UHFFFAOYSA-N
XLogP0.56
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide (CID 21324316) is 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide is C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)N(C)CC)n1.
What is the InChIKey of 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide?
The InChIKey is HJPBGLVPUCSVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-5-8-16(9-6-2)12(18)17-10-13-11(14-17)21(19,20)15(4)7-3/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide?
3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)sulfamoyl]-N,N-bis(prop-2-enyl)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 21324316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).