[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

C11H22N4S2 — CID 114271321

IUPAC[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCCSC(C)(C)C
InChIInChI=1S/C11H22N4S2/c1-5-15-9(8-12)13-14-10(15)16-6-7-17-11(2,3)4/h5-8,12H2,1-4H3
InChIKeyWRYDFGNLKADPGD-UHFFFAOYSA-N
MW274.46 g/mol
LogP2.38
Rot. Bonds6

About [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 114271321) has the molecular formula C11H22N4S2 and a molecular weight of 274.46 g/mol. Its IUPAC name is [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
PubChem CID114271321
Molecular FormulaC11H22N4S2
Molecular Weight274.46 g/mol
Exact Mass274.13
IUPAC Name[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCCSC(C)(C)C
InChIInChI=1S/C11H22N4S2/c1-5-15-9(8-12)13-14-10(15)16-6-7-17-11(2,3)4/h5-8,12H2,1-4H3
InChIKeyWRYDFGNLKADPGD-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 80695220
[4-ethyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 106725606
[4-ethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313191
3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 55205058
[4-ethyl-5-[2-(3-methoxypropoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 103180184
[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314085
[4-ethyl-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313986
[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313730
[5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313722
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 63313362
[4-ethyl-5-[2-(2-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63313631
(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593472

Frequently Asked Questions

What is the IUPAC name of [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (CID 114271321) is [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1SCCSC(C)(C)C.
What is the InChIKey of [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is WRYDFGNLKADPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S2/c1-5-15-9(8-12)13-14-10(15)16-6-7-17-11(2,3)4/h5-8,12H2,1-4H3.
What are the key properties of [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 274.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 114271321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).