N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine

C11H21N5S — CID 114173761

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCCn1ncnc1CNCCN1CCSCC1
InChIInChI=1S/C11H21N5S/c1-2-16-11(13-10-14-16)9-12-3-4-15-5-7-17-8-6-15/h10,12H,2-9H2,1H3
InChIKeyXGWLNLUQUKCAJT-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.44
Rot. Bonds6

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 114173761) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
PubChem CID114173761
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCCn1ncnc1CNCCN1CCSCC1
InChIInChI=1S/C11H21N5S/c1-2-16-11(13-10-14-16)9-12-3-4-15-5-7-17-8-6-15/h10,12H,2-9H2,1H3
InChIKeyXGWLNLUQUKCAJT-UHFFFAOYSA-N
XLogP0.44
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.44
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

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025024
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106324757
3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83120785
N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine
CID 106324569
2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107302391
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 115455596
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 105006718
N-[(1-methylpyrrol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 115867950
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 120663168
1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol
CID 106147440
2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 114941761

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine (CID 114173761) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine is CCn1ncnc1CNCCN1CCSCC1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is XGWLNLUQUKCAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-2-16-11(13-10-14-16)9-12-3-4-15-5-7-17-8-6-15/h10,12H,2-9H2,1H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 255.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 114173761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).