N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide

C20H12F3N5O2 — CID 67423989

IUPACN-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c12)c1cnccn1
InChIInChI=1S/C20H12F3N5O2/c21-20(22,23)13-4-2-5-14(9-13)28-19(30)17-12(10-26-28)3-1-6-15(17)27-18(29)16-11-24-7-8-25-16/h1-11H,(H,27,29)
InChIKeySZFBRZQDADCJGS-UHFFFAOYSA-N
MW411.34 g/mol
LogP3.45
Rot. Bonds3

About N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide

N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide (PubChem CID 67423989) has the molecular formula C20H12F3N5O2 and a molecular weight of 411.34 g/mol. Its IUPAC name is N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide
PubChem CID67423989
Molecular FormulaC20H12F3N5O2
Molecular Weight411.34 g/mol
Exact Mass411.09
IUPAC NameN-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c12)c1cnccn1
InChIInChI=1S/C20H12F3N5O2/c21-20(22,23)13-4-2-5-14(9-13)28-19(30)17-12(10-26-28)3-1-6-15(17)27-18(29)16-11-24-7-8-25-16/h1-11H,(H,27,29)
InChIKeySZFBRZQDADCJGS-UHFFFAOYSA-N
XLogP3.45
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide (CID 67423989) is N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide is O=C(Nc1cccc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c12)c1cnccn1.
What is the InChIKey of N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide?
The InChIKey is SZFBRZQDADCJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O2/c21-20(22,23)13-4-2-5-14(9-13)28-19(30)17-12(10-26-28)3-1-6-15(17)27-18(29)16-11-24-7-8-25-16/h1-11H,(H,27,29).
What are the key properties of N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide?
N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide has a molecular weight of 411.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazin-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 67423989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).