N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine

C15H12F3N5 — CID 175744236

IUPACN-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine
SMILESCC(Nc1nncc2ccccc12)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C15H12F3N5/c1-9(11-6-19-14(20-7-11)15(16,17)18)22-13-12-5-3-2-4-10(12)8-21-23-13/h2-9H,1H3,(H,22,23)
InChIKeyYFUNWIYSEMWPSK-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.61
Rot. Bonds3

About N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine

N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine (PubChem CID 175744236) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine
PubChem CID175744236
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC NameN-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine
SMILESCC(Nc1nncc2ccccc12)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C15H12F3N5/c1-9(11-6-19-14(20-7-11)15(16,17)18)22-13-12-5-3-2-4-10(12)8-21-23-13/h2-9H,1H3,(H,22,23)
InChIKeyYFUNWIYSEMWPSK-UHFFFAOYSA-N
XLogP3.61
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine?
The IUPAC name of N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine (CID 175744236) is N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine.
What is the SMILES notation for N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine?
The canonical SMILES for N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine is CC(Nc1nncc2ccccc12)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine?
The InChIKey is YFUNWIYSEMWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c1-9(11-6-19-14(20-7-11)15(16,17)18)22-13-12-5-3-2-4-10(12)8-21-23-13/h2-9H,1H3,(H,22,23).
What are the key properties of N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine?
N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine has a molecular weight of 319.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine is sourced from PubChem (CID 175744236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).