[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

C9H19N5S — CID 105214004

IUPAC[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCSCC(Cc1ncnn1C(C)C)NN
InChIInChI=1S/C9H19N5S/c1-7(2)14-9(11-6-12-14)4-8(13-10)5-15-3/h6-8,13H,4-5,10H2,1-3H3
InChIKeyPEUIRYRKCIYPNN-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.60
Rot. Bonds6

About [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105214004) has the molecular formula C9H19N5S and a molecular weight of 229.35 g/mol. Its IUPAC name is [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
PubChem CID105214004
Molecular FormulaC9H19N5S
Molecular Weight229.35 g/mol
Exact Mass229.14
IUPAC Name[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCSCC(Cc1ncnn1C(C)C)NN
InChIInChI=1S/C9H19N5S/c1-7(2)14-9(11-6-12-14)4-8(13-10)5-15-3/h6-8,13H,4-5,10H2,1-3H3
InChIKeyPEUIRYRKCIYPNN-UHFFFAOYSA-N
XLogP0.60
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[1-methylsulfonyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105317418
[1-ethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235383
[1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
N-ethyl-4-methylsulfanyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105160437
[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105317282
[1-(3-methylphenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209011
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
[1-(2,4-dichlorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105200215
[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105247050
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105216212
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773

Frequently Asked Questions

What is the IUPAC name of [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (CID 105214004) is [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is CSCC(Cc1ncnn1C(C)C)NN.
What is the InChIKey of [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is PEUIRYRKCIYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S/c1-7(2)14-9(11-6-12-14)4-8(13-10)5-15-3/h6-8,13H,4-5,10H2,1-3H3.
What are the key properties of [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 229.35 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105214004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).