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

C8H10N6O2S — CID 63581833

IUPAC5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2nncn2N)c1
InChIInChI=1S/C8H10N6O2S/c9-12-7(15)5-1-6(16-2-5)3-17-8-13-11-4-14(8)10/h1-2,4H,3,9-10H2,(H,12,15)
InChIKeyDZQIWPBTJBJTKW-UHFFFAOYSA-N
MW254.28 g/mol
LogP-0.52
Rot. Bonds4

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

5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63581833) has the molecular formula C8H10N6O2S and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63581833
Molecular FormulaC8H10N6O2S
Molecular Weight254.28 g/mol
Exact Mass254.06
IUPAC Name5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2nncn2N)c1
InChIInChI=1S/C8H10N6O2S/c9-12-7(15)5-1-6(16-2-5)3-17-8-13-11-4-14(8)10/h1-2,4H,3,9-10H2,(H,12,15)
InChIKeyDZQIWPBTJBJTKW-UHFFFAOYSA-N
XLogP-0.52
TPSA124.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide (CID 63581833) is 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1coc(CSc2nncn2N)c1.
What is the InChIKey of 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is DZQIWPBTJBJTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c9-12-7(15)5-1-6(16-2-5)3-17-8-13-11-4-14(8)10/h1-2,4H,3,9-10H2,(H,12,15).
What are the key properties of 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 254.28 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63581833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).