2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide

C8H15N7OS — CID 19752262

IUPAC2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide
SMILESNNC(=S)Cn1nc(N2CCOCC2)nc1N
InChIInChI=1S/C8H15N7OS/c9-7-11-8(14-1-3-16-4-2-14)13-15(7)5-6(17)12-10/h1-5,10H2,(H,12,17)(H2,9,11,13)
InChIKeyWUISBUBMTUCRBO-UHFFFAOYSA-N
MW257.32 g/mol
LogP-1.51
Rot. Bonds3

About 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide

2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide (PubChem CID 19752262) has the molecular formula C8H15N7OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide.

Molecular Properties

Compound Name2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide
PubChem CID19752262
Molecular FormulaC8H15N7OS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide
SMILESNNC(=S)Cn1nc(N2CCOCC2)nc1N
InChIInChI=1S/C8H15N7OS/c9-7-11-8(14-1-3-16-4-2-14)13-15(7)5-6(17)12-10/h1-5,10H2,(H,12,17)(H2,9,11,13)
InChIKeyWUISBUBMTUCRBO-UHFFFAOYSA-N
XLogP-1.51
TPSA107.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 15050995
5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide
CID 10355835
2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-methoxypropanethioamide
CID 19106565
5-[[4-(dimethylamino)phenyl]methylamino]-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide
CID 10339502
2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide
CID 19106560
2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 107958242
4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide
CID 110178408
N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide
CID 2730938
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide?
The IUPAC name of 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide (CID 19752262) is 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide.
What is the SMILES notation for 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide?
The canonical SMILES for 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide is NNC(=S)Cn1nc(N2CCOCC2)nc1N.
What is the InChIKey of 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide?
The InChIKey is WUISBUBMTUCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7OS/c9-7-11-8(14-1-3-16-4-2-14)13-15(7)5-6(17)12-10/h1-5,10H2,(H,12,17)(H2,9,11,13).
What are the key properties of 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide?
2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide has a molecular weight of 257.32 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide is sourced from PubChem (CID 19752262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).