6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C18H23N5O2 — CID 126923609

IUPAC6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cnccn1CCN1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C18H23N5O2/c24-17-6-5-16(14-3-4-14)20-23(17)13-15-2-1-8-21(15)10-11-22-9-7-19-12-18(22)25/h5-7,9,12,14-15H,1-4,8,10-11,13H2
InChIKeyFABQJZNJHVPPDK-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.84
Rot. Bonds6

About 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923609) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923609
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cnccn1CCN1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C18H23N5O2/c24-17-6-5-16(14-3-4-14)20-23(17)13-15-2-1-8-21(15)10-11-22-9-7-19-12-18(22)25/h5-7,9,12,14-15H,1-4,8,10-11,13H2
InChIKeyFABQJZNJHVPPDK-UHFFFAOYSA-N
XLogP0.84
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923609) is 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cnccn1CCN1CCCC1Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is FABQJZNJHVPPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17-6-5-16(14-3-4-14)20-23(17)13-15-2-1-8-21(15)10-11-22-9-7-19-12-18(22)25/h5-7,9,12,14-15H,1-4,8,10-11,13H2.
What are the key properties of 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).