N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide

C7H15N5O2S — CID 138623144

IUPACN'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide
SMILESCCC(CC)NNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C7H15N5O2S/c1-3-6(4-2)10-12-15(13,14)7-8-5-9-11-7/h5-6,10,12H,3-4H2,1-2H3,(H,8,9,11)
InChIKeyVGJKDJIRJDCUBG-UHFFFAOYSA-N
MW233.30 g/mol
LogP-0.22
Rot. Bonds6

About N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide

N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide (PubChem CID 138623144) has the molecular formula C7H15N5O2S and a molecular weight of 233.30 g/mol. Its IUPAC name is N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide.

Molecular Properties

Compound NameN'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide
PubChem CID138623144
Molecular FormulaC7H15N5O2S
Molecular Weight233.30 g/mol
Exact Mass233.09
IUPAC NameN'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide
SMILESCCC(CC)NNS(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C7H15N5O2S/c1-3-6(4-2)10-12-15(13,14)7-8-5-9-11-7/h5-6,10,12H,3-4H2,1-2H3,(H,8,9,11)
InChIKeyVGJKDJIRJDCUBG-UHFFFAOYSA-N
XLogP-0.22
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide?
The IUPAC name of N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide (CID 138623144) is N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide.
What is the SMILES notation for N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide?
The canonical SMILES for N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide is CCC(CC)NNS(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide?
The InChIKey is VGJKDJIRJDCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S/c1-3-6(4-2)10-12-15(13,14)7-8-5-9-11-7/h5-6,10,12H,3-4H2,1-2H3,(H,8,9,11).
What are the key properties of N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide?
N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide has a molecular weight of 233.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-3-yl-1H-1,2,4-triazole-5-sulfonohydrazide is sourced from PubChem (CID 138623144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).