[2-(trifluoromethyl)quinazolin-4-yl]hydrazine

C9H7F3N4 — CID 1475464

IUPAC[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
SMILESNNc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-14-6-4-2-1-3-5(6)7(15-8)16-13/h1-4H,13H2,(H,14,15,16)
InChIKeyOBZZCRXGECYMPR-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.93
Rot. Bonds1

About [2-(trifluoromethyl)quinazolin-4-yl]hydrazine

[2-(trifluoromethyl)quinazolin-4-yl]hydrazine (PubChem CID 1475464) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is [2-(trifluoromethyl)quinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
PubChem CID1475464
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
SMILESNNc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8-14-6-4-2-1-3-5(6)7(15-8)16-13/h1-4H,13H2,(H,14,15,16)
InChIKeyOBZZCRXGECYMPR-UHFFFAOYSA-N
XLogP1.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)quinazolin-4-yl]hydrazine?
The IUPAC name of [2-(trifluoromethyl)quinazolin-4-yl]hydrazine (CID 1475464) is [2-(trifluoromethyl)quinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-(trifluoromethyl)quinazolin-4-yl]hydrazine?
The canonical SMILES for [2-(trifluoromethyl)quinazolin-4-yl]hydrazine is NNc1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of [2-(trifluoromethyl)quinazolin-4-yl]hydrazine?
The InChIKey is OBZZCRXGECYMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)8-14-6-4-2-1-3-5(6)7(15-8)16-13/h1-4H,13H2,(H,14,15,16).
What are the key properties of [2-(trifluoromethyl)quinazolin-4-yl]hydrazine?
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine has a molecular weight of 228.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)quinazolin-4-yl]hydrazine is sourced from PubChem (CID 1475464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).