2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C14H14F3N5O — CID 126923162

IUPAC2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)11-5-7-18-13(20-11)21-8-2-3-10(21)9-22-12(23)4-1-6-19-22/h1,4-7,10H,2-3,8-9H2
InChIKeyCQYFFSGUNKTDFD-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.72
Rot. Bonds3

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

2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923162) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923162
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)11-5-7-18-13(20-11)21-8-2-3-10(21)9-22-12(23)4-1-6-19-22/h1,4-7,10H,2-3,8-9H2
InChIKeyCQYFFSGUNKTDFD-UHFFFAOYSA-N
XLogP1.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923162) is 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is CQYFFSGUNKTDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c15-14(16,17)11-5-7-18-13(20-11)21-8-2-3-10(21)9-22-12(23)4-1-6-19-22/h1,4-7,10H,2-3,8-9H2.
What are the key properties of 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 325.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).