N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide

C9H18N4O2S — CID 21324370

IUPACN-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C9H18N4O2S/c1-3-5-7-13(6-4-2)16(14,15)9-10-8-11-12-9/h8H,3-7H2,1-2H3,(H,10,11,12)
InChIKeyWTNCZXSMCHALTH-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.01
Rot. Bonds7

About N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide

N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 21324370) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID21324370
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C9H18N4O2S/c1-3-5-7-13(6-4-2)16(14,15)9-10-8-11-12-9/h8H,3-7H2,1-2H3,(H,10,11,12)
InChIKeyWTNCZXSMCHALTH-UHFFFAOYSA-N
XLogP1.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide (CID 21324370) is N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide is CCCCN(CCC)S(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is WTNCZXSMCHALTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-5-7-13(6-4-2)16(14,15)9-10-8-11-12-9/h8H,3-7H2,1-2H3,(H,10,11,12).
What are the key properties of N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide?
N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 21324370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).