5-(dipropylsulfamoylamino)-1H-1,2,4-triazole

C8H17N5O2S — CID 62945148

IUPAC5-(dipropylsulfamoylamino)-1H-1,2,4-triazole
SMILESCCCN(CCC)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H17N5O2S/c1-3-5-13(6-4-2)16(14,15)12-8-9-7-10-11-8/h7H,3-6H2,1-2H3,(H2,9,10,11,12)
InChIKeyBRBBELVQZHCFGY-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.58
Rot. Bonds7

About 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole

5-(dipropylsulfamoylamino)-1H-1,2,4-triazole (PubChem CID 62945148) has the molecular formula C8H17N5O2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(dipropylsulfamoylamino)-1H-1,2,4-triazole
PubChem CID62945148
Molecular FormulaC8H17N5O2S
Molecular Weight247.32 g/mol
Exact Mass247.11
IUPAC Name5-(dipropylsulfamoylamino)-1H-1,2,4-triazole
SMILESCCCN(CCC)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H17N5O2S/c1-3-5-13(6-4-2)16(14,15)12-8-9-7-10-11-8/h7H,3-6H2,1-2H3,(H2,9,10,11,12)
InChIKeyBRBBELVQZHCFGY-UHFFFAOYSA-N
XLogP0.58
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole 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 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole?
The IUPAC name of 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole (CID 62945148) is 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole?
The canonical SMILES for 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole is CCCN(CCC)S(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole?
The InChIKey is BRBBELVQZHCFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2S/c1-3-5-13(6-4-2)16(14,15)12-8-9-7-10-11-8/h7H,3-6H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole?
5-(dipropylsulfamoylamino)-1H-1,2,4-triazole has a molecular weight of 247.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylsulfamoylamino)-1H-1,2,4-triazole is sourced from PubChem (CID 62945148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).