2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide

C11H12N6O — CID 155542685

IUPAC2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide
SMILESNNC(=O)Cn1nnc(/C=C/c2ccccc2)n1
InChIInChI=1S/C11H12N6O/c12-13-11(18)8-17-15-10(14-16-17)7-6-9-4-2-1-3-5-9/h1-7H,8,12H2,(H,13,18)/b7-6+
InChIKeyVQIXTBCDZVIPHI-VOTSOKGWSA-N
MW244.26 g/mol
LogP-0.17
Rot. Bonds4

About 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide

2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide (PubChem CID 155542685) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide
PubChem CID155542685
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide
SMILESNNC(=O)Cn1nnc(/C=C/c2ccccc2)n1
InChIInChI=1S/C11H12N6O/c12-13-11(18)8-17-15-10(14-16-17)7-6-9-4-2-1-3-5-9/h1-7H,8,12H2,(H,13,18)/b7-6+
InChIKeyVQIXTBCDZVIPHI-VOTSOKGWSA-N
XLogP-0.17
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide?
The IUPAC name of 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide (CID 155542685) is 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide.
What is the SMILES notation for 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide?
The canonical SMILES for 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide is NNC(=O)Cn1nnc(/C=C/c2ccccc2)n1.
What is the InChIKey of 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide?
The InChIKey is VQIXTBCDZVIPHI-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H12N6O/c12-13-11(18)8-17-15-10(14-16-17)7-6-9-4-2-1-3-5-9/h1-7H,8,12H2,(H,13,18)/b7-6+.
What are the key properties of 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide?
2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide has a molecular weight of 244.26 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide is sourced from PubChem (CID 155542685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).