N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide

C11H9F3N4O — CID 174679781

IUPACN'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide
SMILESCC(=O)NNc1nncc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H9F3N4O/c1-6(19)16-18-10-9-4-8(11(12,13)14)3-2-7(9)5-15-17-10/h2-5H,1H3,(H,16,19)(H,17,18)
InChIKeyDSHINISQYHEYBX-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.11
Rot. Bonds2

About N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide

N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide (PubChem CID 174679781) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide
PubChem CID174679781
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC NameN'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide
SMILESCC(=O)NNc1nncc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H9F3N4O/c1-6(19)16-18-10-9-4-8(11(12,13)14)3-2-7(9)5-15-17-10/h2-5H,1H3,(H,16,19)(H,17,18)
InChIKeyDSHINISQYHEYBX-UHFFFAOYSA-N
XLogP2.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide?
The IUPAC name of N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide (CID 174679781) is N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide.
What is the SMILES notation for N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide?
The canonical SMILES for N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide is CC(=O)NNc1nncc2ccc(C(F)(F)F)cc12.
What is the InChIKey of N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide?
The InChIKey is DSHINISQYHEYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-6(19)16-18-10-9-4-8(11(12,13)14)3-2-7(9)5-15-17-10/h2-5H,1H3,(H,16,19)(H,17,18).
What are the key properties of N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide?
N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide has a molecular weight of 270.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(trifluoromethyl)phthalazin-1-yl]acetohydrazide is sourced from PubChem (CID 174679781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).