3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one

C7H10N6OS2 — CID 79764575

IUPAC3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(SCc2cnc(NN)s2)n[nH]c1=O
InChIInChI=1S/C7H10N6OS2/c1-13-6(14)11-12-7(13)15-3-4-2-9-5(10-8)16-4/h2H,3,8H2,1H3,(H,9,10)(H,11,14)
InChIKeyZCIXRPQJGHWSAK-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.14
Rot. Bonds4

About 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one

3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 79764575) has the molecular formula C7H10N6OS2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID79764575
Molecular FormulaC7H10N6OS2
Molecular Weight258.33 g/mol
Exact Mass258.04
IUPAC Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(SCc2cnc(NN)s2)n[nH]c1=O
InChIInChI=1S/C7H10N6OS2/c1-13-6(14)11-12-7(13)15-3-4-2-9-5(10-8)16-4/h2H,3,8H2,1H3,(H,9,10)(H,11,14)
InChIKeyZCIXRPQJGHWSAK-UHFFFAOYSA-N
XLogP0.14
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.14
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'}

Analyze 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one 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 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one (CID 79764575) is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one is Cn1c(SCc2cnc(NN)s2)n[nH]c1=O.
What is the InChIKey of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is ZCIXRPQJGHWSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6OS2/c1-13-6(14)11-12-7(13)15-3-4-2-9-5(10-8)16-4/h2H,3,8H2,1H3,(H,9,10)(H,11,14).
What are the key properties of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 258.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 79764575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).