N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride

C12H22ClN5O2S — CID 154894688

IUPACN-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCCn1c(C)nnc1SCCNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C12H21N5O2S.ClH/c1-3-17-9(2)15-16-12(17)20-7-5-14-11(18)10-8-13-4-6-19-10;/h10,13H,3-8H2,1-2H3,(H,14,18);1H
InChIKeyDJYQYTSWZUOLOC-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.22
Rot. Bonds6

About N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride

N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 154894688) has the molecular formula C12H22ClN5O2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID154894688
Molecular FormulaC12H22ClN5O2S
Molecular Weight335.86 g/mol
Exact Mass335.12
IUPAC NameN-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCCn1c(C)nnc1SCCNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C12H21N5O2S.ClH/c1-3-17-9(2)15-16-12(17)20-7-5-14-11(18)10-8-13-4-6-19-10;/h10,13H,3-8H2,1-2H3,(H,14,18);1H
InChIKeyDJYQYTSWZUOLOC-UHFFFAOYSA-N
XLogP0.22
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]oxane-2-carboxamide
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N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]morpholine-2-carboxamide
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N-octylmorpholine-2-carboxamide
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N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
CID 71298534
N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 74236469
(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
CID 125177439
(3R)-N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97284678
N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride (CID 154894688) is N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride is CCn1c(C)nnc1SCCNC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is DJYQYTSWZUOLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S.ClH/c1-3-17-9(2)15-16-12(17)20-7-5-14-11(18)10-8-13-4-6-19-10;/h10,13H,3-8H2,1-2H3,(H,14,18);1H.
What are the key properties of N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride?
N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154894688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).