4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide

C11H15N5O3S — CID 63582745

IUPAC4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
SMILESCCn1c(SCc2cc(C(=O)NN)oc2C)n[nH]c1=O
InChIInChI=1S/C11H15N5O3S/c1-3-16-10(18)14-15-11(16)20-5-7-4-8(9(17)13-12)19-6(7)2/h4H,3,5,12H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyHOWUYHUTMZLRMA-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.39
Rot. Bonds5

About 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide

4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63582745) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
PubChem CID63582745
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
SMILESCCn1c(SCc2cc(C(=O)NN)oc2C)n[nH]c1=O
InChIInChI=1S/C11H15N5O3S/c1-3-16-10(18)14-15-11(16)20-5-7-4-8(9(17)13-12)19-6(7)2/h4H,3,5,12H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyHOWUYHUTMZLRMA-UHFFFAOYSA-N
XLogP0.39
TPSA118.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide (CID 63582745) is 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide is CCn1c(SCc2cc(C(=O)NN)oc2C)n[nH]c1=O.
What is the InChIKey of 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is HOWUYHUTMZLRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-3-16-10(18)14-15-11(16)20-5-7-4-8(9(17)13-12)19-6(7)2/h4H,3,5,12H2,1-2H3,(H,13,17)(H,14,18).
What are the key properties of 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 297.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63582745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).