3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one

C11H8F3N3O — CID 146198875

IUPAC3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)17-9-10(18)16-6-5-15-9/h1-6H,(H,15,17)(H,16,18)
InChIKeyMITDZVOEPPARRS-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.53
Rot. Bonds2

About 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one

3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one (PubChem CID 146198875) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one
PubChem CID146198875
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)17-9-10(18)16-6-5-15-9/h1-6H,(H,15,17)(H,16,18)
InChIKeyMITDZVOEPPARRS-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one (CID 146198875) is 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one is O=c1[nH]ccnc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one?
The InChIKey is MITDZVOEPPARRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)17-9-10(18)16-6-5-15-9/h1-6H,(H,15,17)(H,16,18).
What are the key properties of 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one?
3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one has a molecular weight of 255.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)anilino]-1H-pyrazin-2-one is sourced from PubChem (CID 146198875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).