[5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine

C11H9F3N4 — CID 23459944

IUPAC[5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
SMILESNNc1ncncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)8-3-1-2-7(4-8)9-5-16-6-17-10(9)18-15/h1-6H,15H2,(H,16,17,18)
InChIKeyZMETWZAOSNXBSN-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.45
Rot. Bonds2

About [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine

[5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine (PubChem CID 23459944) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
PubChem CID23459944
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name[5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
SMILESNNc1ncncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)8-3-1-2-7(4-8)9-5-16-6-17-10(9)18-15/h1-6H,15H2,(H,16,17,18)
InChIKeyZMETWZAOSNXBSN-UHFFFAOYSA-N
XLogP2.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine
CID 91219654
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 70654559
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091198
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092048

Frequently Asked Questions

What is the IUPAC name of [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine (CID 23459944) is [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine is NNc1ncncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine?
The InChIKey is ZMETWZAOSNXBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-11(13,14)8-3-1-2-7(4-8)9-5-16-6-17-10(9)18-15/h1-6H,15H2,(H,16,17,18).
What are the key properties of [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine?
[5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine has a molecular weight of 254.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 23459944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).