2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide

C10H14N6O2 — CID 83048207

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
SMILESCCCC(C(=O)NN)n1nnc(-c2ccco2)n1
InChIInChI=1S/C10H14N6O2/c1-2-4-7(10(17)12-11)16-14-9(13-15-16)8-5-3-6-18-8/h3,5-7H,2,4,11H2,1H3,(H,12,17)
InChIKeyKJNNHEHGTVAYLK-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.26
Rot. Bonds5

About 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide

2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide (PubChem CID 83048207) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
PubChem CID83048207
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
SMILESCCCC(C(=O)NN)n1nnc(-c2ccco2)n1
InChIInChI=1S/C10H14N6O2/c1-2-4-7(10(17)12-11)16-14-9(13-15-16)8-5-3-6-18-8/h3,5-7H,2,4,11H2,1H3,(H,12,17)
InChIKeyKJNNHEHGTVAYLK-UHFFFAOYSA-N
XLogP0.26
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
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-(furan-2-yl)tetrazol-2-yl]pentanehydrazide?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide (CID 83048207) is 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide is CCCC(C(=O)NN)n1nnc(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide?
The InChIKey is KJNNHEHGTVAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-2-4-7(10(17)12-11)16-14-9(13-15-16)8-5-3-6-18-8/h3,5-7H,2,4,11H2,1H3,(H,12,17).
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide?
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide has a molecular weight of 250.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide is sourced from PubChem (CID 83048207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).