2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

C15H17N5O3 — CID 91627386

IUPAC2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(OC2CCN(C(=O)Cn3ncccc3=O)C2)nn1
InChIInChI=1S/C15H17N5O3/c1-11-4-5-13(18-17-11)23-12-6-8-19(9-12)15(22)10-20-14(21)3-2-7-16-20/h2-5,7,12H,6,8-10H2,1H3
InChIKeyCQGMRFQANMFNPK-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.02
Rot. Bonds4

About 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 91627386) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID91627386
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(OC2CCN(C(=O)Cn3ncccc3=O)C2)nn1
InChIInChI=1S/C15H17N5O3/c1-11-4-5-13(18-17-11)23-12-6-8-19(9-12)15(22)10-20-14(21)3-2-7-16-20/h2-5,7,12H,6,8-10H2,1H3
InChIKeyCQGMRFQANMFNPK-UHFFFAOYSA-N
XLogP0.02
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 91627386) is 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1ccc(OC2CCN(C(=O)Cn3ncccc3=O)C2)nn1.
What is the InChIKey of 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is CQGMRFQANMFNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-11-4-5-13(18-17-11)23-12-6-8-19(9-12)15(22)10-20-14(21)3-2-7-16-20/h2-5,7,12H,6,8-10H2,1H3.
What are the key properties of 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 315.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 91627386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).