2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one

C15H15F3N6O2 — CID 91631493

IUPAC2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccc1=O
InChIInChI=1S/C15H15F3N6O2/c1-22-13(25)3-2-10(21-22)14(26)24-6-4-23(5-7-24)12-8-11(15(16,17)18)19-9-20-12/h2-3,8-9H,4-7H2,1H3
InChIKeyICZBKKOLUOEXNR-UHFFFAOYSA-N
MW368.32 g/mol
LogP0.55
Rot. Bonds2

About 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one

2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 91631493) has the molecular formula C15H15F3N6O2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
PubChem CID91631493
Molecular FormulaC15H15F3N6O2
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccc1=O
InChIInChI=1S/C15H15F3N6O2/c1-22-13(25)3-2-10(21-22)14(26)24-6-4-23(5-7-24)12-8-11(15(16,17)18)19-9-20-12/h2-3,8-9H,4-7H2,1H3
InChIKeyICZBKKOLUOEXNR-UHFFFAOYSA-N
XLogP0.55
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one (CID 91631493) is 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccc1=O.
What is the InChIKey of 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is ICZBKKOLUOEXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2/c1-22-13(25)3-2-10(21-22)14(26)24-6-4-23(5-7-24)12-8-11(15(16,17)18)19-9-20-12/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 368.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 91631493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).