3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide

C11H10N6O2S — CID 63641279

IUPAC3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C11H10N6O2S/c12-13-11(18)9-7(3-5-20-9)6-17-15-10(14-16-17)8-2-1-4-19-8/h1-5H,6,12H2,(H,13,18)
InChIKeyVOMWBNAMBXKYAB-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.65
Rot. Bonds4

About 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide

3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide (PubChem CID 63641279) has the molecular formula C11H10N6O2S and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide
PubChem CID63641279
Molecular FormulaC11H10N6O2S
Molecular Weight290.31 g/mol
Exact Mass290.06
IUPAC Name3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C11H10N6O2S/c12-13-11(18)9-7(3-5-20-9)6-17-15-10(14-16-17)8-2-1-4-19-8/h1-5H,6,12H2,(H,13,18)
InChIKeyVOMWBNAMBXKYAB-UHFFFAOYSA-N
XLogP0.65
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
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 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide (CID 63641279) is 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide?
The InChIKey is VOMWBNAMBXKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2S/c12-13-11(18)9-7(3-5-20-9)6-17-15-10(14-16-17)8-2-1-4-19-8/h1-5H,6,12H2,(H,13,18).
What are the key properties of 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide?
3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide has a molecular weight of 290.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63641279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).