2-(5-phenyltetrazol-1-yl)acetohydrazide

C9H10N6O — CID 25238208

IUPAC2-(5-phenyltetrazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C9H10N6O/c10-11-8(16)6-15-9(12-13-14-15)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,16)
InChIKeyAQVCIABVUCWDLW-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.67
Rot. Bonds3

About 2-(5-phenyltetrazol-1-yl)acetohydrazide

2-(5-phenyltetrazol-1-yl)acetohydrazide (PubChem CID 25238208) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-1-yl)acetohydrazide
PubChem CID25238208
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-(5-phenyltetrazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nnnc1-c1ccccc1
InChIInChI=1S/C9H10N6O/c10-11-8(16)6-15-9(12-13-14-15)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,16)
InChIKeyAQVCIABVUCWDLW-UHFFFAOYSA-N
XLogP-0.67
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.67
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-phenyltetrazol-1-yl)acetohydrazide?
The IUPAC name of 2-(5-phenyltetrazol-1-yl)acetohydrazide (CID 25238208) is 2-(5-phenyltetrazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(5-phenyltetrazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(5-phenyltetrazol-1-yl)acetohydrazide is NNC(=O)Cn1nnnc1-c1ccccc1.
What is the InChIKey of 2-(5-phenyltetrazol-1-yl)acetohydrazide?
The InChIKey is AQVCIABVUCWDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c10-11-8(16)6-15-9(12-13-14-15)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,16).
What are the key properties of 2-(5-phenyltetrazol-1-yl)acetohydrazide?
2-(5-phenyltetrazol-1-yl)acetohydrazide has a molecular weight of 218.22 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-1-yl)acetohydrazide is sourced from PubChem (CID 25238208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).