2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one

C12H9F3N4O — CID 3561326

IUPAC2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(NN=Cc2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)9-4-2-1-3-8(9)7-17-19-11-16-6-5-10(20)18-11/h1-7H,(H2,16,18,19,20)
InChIKeyPCPGZZGZFGJQRZ-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one

2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 3561326) has the molecular formula C12H9F3N4O and a molecular weight of 282.23 g/mol. Its IUPAC name is 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID3561326
Molecular FormulaC12H9F3N4O
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(NN=Cc2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)9-4-2-1-3-8(9)7-17-19-11-16-6-5-10(20)18-11/h1-7H,(H2,16,18,19,20)
InChIKeyPCPGZZGZFGJQRZ-UHFFFAOYSA-N
XLogP2.23
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 3561326) is 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one is O=c1ccnc(NN=Cc2ccccc2C(F)(F)F)[nH]1.
What is the InChIKey of 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is PCPGZZGZFGJQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O/c13-12(14,15)9-4-2-1-3-8(9)7-17-19-11-16-6-5-10(20)18-11/h1-7H,(H2,16,18,19,20).
What are the key properties of 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one?
2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 282.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 3561326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).