4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine

C19H18F3N5 — CID 68747460

IUPAC4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine
SMILESCC1CNCCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12
InChIInChI=1S/C19H18F3N5/c1-12-10-24-8-9-27(12)18-16-11-23-7-6-15(16)17(25-26-18)13-2-4-14(5-3-13)19(20,21)22/h2-7,11-12,24H,8-10H2,1H3
InChIKeyZAUAJPWYYPQCRA-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.51
Rot. Bonds2

About 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine

4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine (PubChem CID 68747460) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine
PubChem CID68747460
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine
SMILESCC1CNCCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12
InChIInChI=1S/C19H18F3N5/c1-12-10-24-8-9-27(12)18-16-11-23-7-6-15(16)17(25-26-18)13-2-4-14(5-3-13)19(20,21)22/h2-7,11-12,24H,8-10H2,1H3
InChIKeyZAUAJPWYYPQCRA-UHFFFAOYSA-N
XLogP3.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine?
The IUPAC name of 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine (CID 68747460) is 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine.
What is the SMILES notation for 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine?
The canonical SMILES for 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine is CC1CNCCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12.
What is the InChIKey of 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine?
The InChIKey is ZAUAJPWYYPQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c1-12-10-24-8-9-27(12)18-16-11-23-7-6-15(16)17(25-26-18)13-2-4-14(5-3-13)19(20,21)22/h2-7,11-12,24H,8-10H2,1H3.
What are the key properties of 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine?
4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine has a molecular weight of 373.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazine is sourced from PubChem (CID 68747460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).