[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine

C8H17N5O2S — CID 105316531

IUPAC[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
SMILESCC(C(Cc1ncnn1C)NN)S(C)(=O)=O
InChIInChI=1S/C8H17N5O2S/c1-6(16(3,14)15)7(12-9)4-8-10-5-11-13(8)2/h5-7,12H,4,9H2,1-3H3
InChIKeyFPHBVTHBZFRCKQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP-1.38
Rot. Bonds5

About [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine

[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine (PubChem CID 105316531) has the molecular formula C8H17N5O2S and a molecular weight of 247.32 g/mol. Its IUPAC name is [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
PubChem CID105316531
Molecular FormulaC8H17N5O2S
Molecular Weight247.32 g/mol
Exact Mass247.11
IUPAC Name[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
SMILESCC(C(Cc1ncnn1C)NN)S(C)(=O)=O
InChIInChI=1S/C8H17N5O2S/c1-6(16(3,14)15)7(12-9)4-8-10-5-11-13(8)2/h5-7,12H,4,9H2,1-3H3
InChIKeyFPHBVTHBZFRCKQ-UHFFFAOYSA-N
XLogP-1.38
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 104997856
N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003193
1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 115649274
[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105318176
[1-ethylsulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105225311
[1-ethoxy-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235263
3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105197069
[1-(1-methylimidazol-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105258087
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000061
[4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 103025371
3-[(2-methyl-1,2,4-triazol-3-yl)methylsulfonyl]butan-1-amine
CID 81195552

Frequently Asked Questions

What is the IUPAC name of [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The IUPAC name of [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine (CID 105316531) is [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The canonical SMILES for [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine is CC(C(Cc1ncnn1C)NN)S(C)(=O)=O.
What is the InChIKey of [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The InChIKey is FPHBVTHBZFRCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2S/c1-6(16(3,14)15)7(12-9)4-8-10-5-11-13(8)2/h5-7,12H,4,9H2,1-3H3.
What are the key properties of [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
[3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine has a molecular weight of 247.32 g/mol, XLogP of -1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105316531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).