6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C17H22N4O2 — CID 126923654

IUPAC6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1ocnc1CN1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H22N4O2/c1-12-16(18-11-23-12)10-20-8-2-3-14(20)9-21-17(22)7-6-15(19-21)13-4-5-13/h6-7,11,13-14H,2-5,8-10H2,1H3
InChIKeyPTKONOFLHDTWCK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.08
Rot. Bonds5

About 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923654) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923654
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1ocnc1CN1CCCC1Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H22N4O2/c1-12-16(18-11-23-12)10-20-8-2-3-14(20)9-21-17(22)7-6-15(19-21)13-4-5-13/h6-7,11,13-14H,2-5,8-10H2,1H3
InChIKeyPTKONOFLHDTWCK-UHFFFAOYSA-N
XLogP2.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923616
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923606
6-cyclopropyl-2-[[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923719
6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923609
6-tert-butyl-2-[[1-(1,3,4-oxadiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924065
2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923501
6-cyclopropyl-2-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923415
6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923570
6-tert-butyl-2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923955
6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923483
2-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926225
N-cyclopentyl-2-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]pyrrolidine-1-carboxamide
CID 126923428

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923654) is 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1ocnc1CN1CCCC1Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is PTKONOFLHDTWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-16(18-11-23-12)10-20-8-2-3-14(20)9-21-17(22)7-6-15(19-21)13-4-5-13/h6-7,11,13-14H,2-5,8-10H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 314.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).