1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine

C20H13F3N4 — CID 175849953

IUPAC1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
SMILESNc1nnc(-c2ccc(C(F)(F)F)cc2-c2ccccc2)c2ccncc12
InChIInChI=1S/C20H13F3N4/c21-20(22,23)13-6-7-14(16(10-13)12-4-2-1-3-5-12)18-15-8-9-25-11-17(15)19(24)27-26-18/h1-11H,(H2,24,27)
InChIKeyUGRJJZUNUVVLPN-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.96
Rot. Bonds2

About 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine

1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 175849953) has the molecular formula C20H13F3N4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID175849953
Molecular FormulaC20H13F3N4
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
SMILESNc1nnc(-c2ccc(C(F)(F)F)cc2-c2ccccc2)c2ccncc12
InChIInChI=1S/C20H13F3N4/c21-20(22,23)13-6-7-14(16(10-13)12-4-2-1-3-5-12)18-15-8-9-25-11-17(15)19(24)27-26-18/h1-11H,(H2,24,27)
InChIKeyUGRJJZUNUVVLPN-UHFFFAOYSA-N
XLogP4.96
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine (CID 175849953) is 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine is Nc1nnc(-c2ccc(C(F)(F)F)cc2-c2ccccc2)c2ccncc12.
What is the InChIKey of 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is UGRJJZUNUVVLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4/c21-20(22,23)13-6-7-14(16(10-13)12-4-2-1-3-5-12)18-15-8-9-25-11-17(15)19(24)27-26-18/h1-11H,(H2,24,27).
What are the key properties of 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 366.35 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 175849953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).