5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide

C10H26N6OS — CID 161340122

IUPAC5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide
SMILESC.C.CCC(N)=S.CCc1ncn[nH]1.NNC=O
InChIInChI=1S/C4H7N3.C3H7NS.CH4N2O.2CH4/c1-2-4-5-3-6-7-4;1-2-3(4)5;2-3-1-4;;/h3H,2H2,1H3,(H,5,6,7);2H2,1H3,(H2,4,5);1H,2H2,(H,3,4);2*1H4
InChIKeyVMNZWHZWOXLSJH-UHFFFAOYSA-N
MW278.43 g/mol
LogP0.93
Rot. Bonds3

About 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide

5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide (PubChem CID 161340122) has the molecular formula C10H26N6OS and a molecular weight of 278.43 g/mol. Its IUPAC name is 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide.

Molecular Properties

Compound Name5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide
PubChem CID161340122
Molecular FormulaC10H26N6OS
Molecular Weight278.43 g/mol
Exact Mass278.19
IUPAC Name5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide
SMILESC.C.CCC(N)=S.CCc1ncn[nH]1.NNC=O
InChIInChI=1S/C4H7N3.C3H7NS.CH4N2O.2CH4/c1-2-4-5-3-6-7-4;1-2-3(4)5;2-3-1-4;;/h3H,2H2,1H3,(H,5,6,7);2H2,1H3,(H2,4,5);1H,2H2,(H,3,4);2*1H4
InChIKeyVMNZWHZWOXLSJH-UHFFFAOYSA-N
XLogP0.93
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide?
The IUPAC name of 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide (CID 161340122) is 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide.
What is the SMILES notation for 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide?
The canonical SMILES for 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide is C.C.CCC(N)=S.CCc1ncn[nH]1.NNC=O.
What is the InChIKey of 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide?
The InChIKey is VMNZWHZWOXLSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C3H7NS.CH4N2O.2CH4/c1-2-4-5-3-6-7-4;1-2-3(4)5;2-3-1-4;;/h3H,2H2,1H3,(H,5,6,7);2H2,1H3,(H2,4,5);1H,2H2,(H,3,4);2*1H4.
What are the key properties of 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide?
5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide has a molecular weight of 278.43 g/mol, XLogP of 0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-1,2,4-triazole;formohydrazide;methane;propanethioamide is sourced from PubChem (CID 161340122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).