2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine

C11H20N4S — CID 65294793

IUPAC2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine
SMILESCc1nnc(SCC2CCCC2)n1CCN
InChIInChI=1S/C11H20N4S/c1-9-13-14-11(15(9)7-6-12)16-8-10-4-2-3-5-10/h10H,2-8,12H2,1H3
InChIKeyYYVOROUPQQECNK-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.83
Rot. Bonds5

About 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine

2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine (PubChem CID 65294793) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine
PubChem CID65294793
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine
SMILESCc1nnc(SCC2CCCC2)n1CCN
InChIInChI=1S/C11H20N4S/c1-9-13-14-11(15(9)7-6-12)16-8-10-4-2-3-5-10/h10H,2-8,12H2,1H3
InChIKeyYYVOROUPQQECNK-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-5-(oxolan-3-ylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamine
CID 65294691
3-(cyclobutylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
CID 130616955
[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313730
3-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 65294598
2-[3-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-yl]ethanamine
CID 65294155
2-[3-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 79220798
2-[3-methyl-5-(3-pyrrolidin-1-ylpropylsulfanyl)-1,2,4-triazol-4-yl]ethanamine
CID 65294883
2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 65294799
2-(3-but-2-ynylsulfanyl-5-methyl-1,2,4-triazol-4-yl)ethanamine
CID 65294111
3-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide
CID 65298925
2-[3-methyl-5-[(1-methylimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-yl]ethanamine
CID 65294363
2-[3-[(4-ethylphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294744

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine (CID 65294793) is 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine is Cc1nnc(SCC2CCCC2)n1CCN.
What is the InChIKey of 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine?
The InChIKey is YYVOROUPQQECNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9-13-14-11(15(9)7-6-12)16-8-10-4-2-3-5-10/h10H,2-8,12H2,1H3.
What are the key properties of 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine?
2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine has a molecular weight of 240.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-yl]ethanamine is sourced from PubChem (CID 65294793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).