2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide

C10H9F3N6O — CID 2739043

IUPAC2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide
SMILESNNC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)7-3-1-6(2-4-7)9-16-18-19(17-9)5-8(20)15-14/h1-4H,5,14H2,(H,15,20)
InChIKeyCXUBAIOCGPKARW-UHFFFAOYSA-N
MW286.22 g/mol
LogP0.35
Rot. Bonds3

About 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide

2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide (PubChem CID 2739043) has the molecular formula C10H9F3N6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide
PubChem CID2739043
Molecular FormulaC10H9F3N6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide
SMILESNNC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)7-3-1-6(2-4-7)9-16-18-19(17-9)5-8(20)15-14/h1-4H,5,14H2,(H,15,20)
InChIKeyCXUBAIOCGPKARW-UHFFFAOYSA-N
XLogP0.35
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 50.35
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-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide?
The IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide (CID 2739043) is 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide.
What is the SMILES notation for 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide?
The canonical SMILES for 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide is NNC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide?
The InChIKey is CXUBAIOCGPKARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6O/c11-10(12,13)7-3-1-6(2-4-7)9-16-18-19(17-9)5-8(20)15-14/h1-4H,5,14H2,(H,15,20).
What are the key properties of 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide?
2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide has a molecular weight of 286.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetohydrazide is sourced from PubChem (CID 2739043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).