2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide

C11H8F6N6O — CID 2730382

IUPAC2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide
SMILESNNC(=O)Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H8F6N6O/c12-10(13,14)6-1-5(2-7(3-6)11(15,16)17)9-20-22-23(21-9)4-8(24)19-18/h1-3H,4,18H2,(H,19,24)
InChIKeySLBFHYAKGTZAML-UHFFFAOYSA-N
MW354.21 g/mol
LogP1.37
Rot. Bonds3

About 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide

2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide (PubChem CID 2730382) has the molecular formula C11H8F6N6O and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide
PubChem CID2730382
Molecular FormulaC11H8F6N6O
Molecular Weight354.21 g/mol
Exact Mass354.07
IUPAC Name2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide
SMILESNNC(=O)Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H8F6N6O/c12-10(13,14)6-1-5(2-7(3-6)11(15,16)17)9-20-22-23(21-9)4-8(24)19-18/h1-3H,4,18H2,(H,19,24)
InChIKeySLBFHYAKGTZAML-UHFFFAOYSA-N
XLogP1.37
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 51.37
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-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide?
The IUPAC name of 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide (CID 2730382) is 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide.
What is the SMILES notation for 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide?
The canonical SMILES for 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide is NNC(=O)Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide?
The InChIKey is SLBFHYAKGTZAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6N6O/c12-10(13,14)6-1-5(2-7(3-6)11(15,16)17)9-20-22-23(21-9)4-8(24)19-18/h1-3H,4,18H2,(H,19,24).
What are the key properties of 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide?
2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide has a molecular weight of 354.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide is sourced from PubChem (CID 2730382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).