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

C11H15N5O3S — CID 63581803

IUPAC2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCCCn1c(SCc2occc2C(=O)NN)n[nH]c1=O
InChIInChI=1S/C11H15N5O3S/c1-2-4-16-10(18)14-15-11(16)20-6-8-7(3-5-19-8)9(17)13-12/h3,5H,2,4,6,12H2,1H3,(H,13,17)(H,14,18)
InChIKeyRYVGWSRVJMPGJC-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.47
Rot. Bonds6

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

2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63581803) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63581803
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCCCn1c(SCc2occc2C(=O)NN)n[nH]c1=O
InChIInChI=1S/C11H15N5O3S/c1-2-4-16-10(18)14-15-11(16)20-6-8-7(3-5-19-8)9(17)13-12/h3,5H,2,4,6,12H2,1H3,(H,13,17)(H,14,18)
InChIKeyRYVGWSRVJMPGJC-UHFFFAOYSA-N
XLogP0.47
TPSA118.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.47
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 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide (CID 63581803) is 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide is CCCn1c(SCc2occc2C(=O)NN)n[nH]c1=O.
What is the InChIKey of 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is RYVGWSRVJMPGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-2-4-16-10(18)14-15-11(16)20-6-8-7(3-5-19-8)9(17)13-12/h3,5H,2,4,6,12H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 297.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63581803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).