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

C16H16F3N5O — CID 126927319

IUPAC6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H16F3N5O/c17-16(18,19)13-5-6-20-15(21-13)23-7-10(8-23)9-24-14(25)4-3-12(22-24)11-1-2-11/h3-6,10-11H,1-2,7-9H2
InChIKeyQAPORWBJVHCIAD-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.07
Rot. Bonds4

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

6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927319) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927319
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Name6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H16F3N5O/c17-16(18,19)13-5-6-20-15(21-13)23-7-10(8-23)9-24-14(25)4-3-12(22-24)11-1-2-11/h3-6,10-11H,1-2,7-9H2
InChIKeyQAPORWBJVHCIAD-UHFFFAOYSA-N
XLogP2.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.07
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]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126927319) is 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is QAPORWBJVHCIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O/c17-16(18,19)13-5-6-20-15(21-13)23-7-10(8-23)9-24-14(25)4-3-12(22-24)11-1-2-11/h3-6,10-11H,1-2,7-9H2.
What are the key properties of 6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 351.33 g/mol, XLogP of 2.07, 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]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).