N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide

C10H20N4O2S — CID 4018351

IUPACN,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C10H20N4O2S/c1-3-5-7-14(8-6-4-2)17(15,16)10-11-9-12-13-10/h9H,3-8H2,1-2H3,(H,11,12,13)
InChIKeyQNCNGPWWSYJFRI-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.40
Rot. Bonds8

About N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide

N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 4018351) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID4018351
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C10H20N4O2S/c1-3-5-7-14(8-6-4-2)17(15,16)10-11-9-12-13-10/h9H,3-8H2,1-2H3,(H,11,12,13)
InChIKeyQNCNGPWWSYJFRI-UHFFFAOYSA-N
XLogP1.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide (CID 4018351) is N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is QNCNGPWWSYJFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-5-7-14(8-6-4-2)17(15,16)10-11-9-12-13-10/h9H,3-8H2,1-2H3,(H,11,12,13).
What are the key properties of N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide?
N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 4018351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).