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

C17H18F3N5O — CID 126923505

IUPAC6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)14-7-8-21-16(22-14)24-9-1-2-12(24)10-25-15(26)6-5-13(23-25)11-3-4-11/h5-8,11-12H,1-4,9-10H2
InChIKeyKUPPDZDWQRJXHN-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.60
Rot. Bonds4

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

6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923505) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923505
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)14-7-8-21-16(22-14)24-9-1-2-12(24)10-25-15(26)6-5-13(23-25)11-3-4-11/h5-8,11-12H,1-4,9-10H2
InChIKeyKUPPDZDWQRJXHN-UHFFFAOYSA-N
XLogP2.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923505) is 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is KUPPDZDWQRJXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)14-7-8-21-16(22-14)24-9-1-2-12(24)10-25-15(26)6-5-13(23-25)11-3-4-11/h5-8,11-12H,1-4,9-10H2.
What are the key properties of 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 365.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).