5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide

C9H17N7OS — CID 10355835

IUPAC5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide
SMILESCCNNC(=S)n1nc(N2CCOCC2)nc1N
InChIInChI=1S/C9H17N7OS/c1-2-11-13-9(18)16-7(10)12-8(14-16)15-3-5-17-6-4-15/h11H,2-6H2,1H3,(H,13,18)(H2,10,12,14)
InChIKeyYWNOYOJDDADIEK-UHFFFAOYSA-N
MW271.35 g/mol
LogP-1.06
Rot. Bonds3

About 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide

5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide (PubChem CID 10355835) has the molecular formula C9H17N7OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide.

Molecular Properties

Compound Name5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide
PubChem CID10355835
Molecular FormulaC9H17N7OS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide
SMILESCCNNC(=S)n1nc(N2CCOCC2)nc1N
InChIInChI=1S/C9H17N7OS/c1-2-11-13-9(18)16-7(10)12-8(14-16)15-3-5-17-6-4-15/h11H,2-6H2,1H3,(H,13,18)(H2,10,12,14)
InChIKeyYWNOYOJDDADIEK-UHFFFAOYSA-N
XLogP-1.06
TPSA93.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)ethanethiohydrazide
CID 19752262
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-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 107958242
2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide
CID 19106560
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 55113870
2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 15050995
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
4-N-methyl-6-morpholin-4-yl-4-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80793641
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472

Frequently Asked Questions

What is the IUPAC name of 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide?
The IUPAC name of 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide (CID 10355835) is 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide.
What is the SMILES notation for 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide?
The canonical SMILES for 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide is CCNNC(=S)n1nc(N2CCOCC2)nc1N.
What is the InChIKey of 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide?
The InChIKey is YWNOYOJDDADIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7OS/c1-2-11-13-9(18)16-7(10)12-8(14-16)15-3-5-17-6-4-15/h11H,2-6H2,1H3,(H,13,18)(H2,10,12,14).
What are the key properties of 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide?
5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide has a molecular weight of 271.35 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N'-ethyl-3-morpholin-4-yl-1,2,4-triazole-1-carbothiohydrazide is sourced from PubChem (CID 10355835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).