6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

C14H19N3O3 — CID 121197470

IUPAC6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(OCC3CC3)C2)ccc1=O
InChIInChI=1S/C14H19N3O3/c1-16-13(18)5-4-12(15-16)14(19)17-7-6-11(8-17)20-9-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyNZOODZAOMATWCF-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.42
Rot. Bonds4

About 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 121197470) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID121197470
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(OCC3CC3)C2)ccc1=O
InChIInChI=1S/C14H19N3O3/c1-16-13(18)5-4-12(15-16)14(19)17-7-6-11(8-17)20-9-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyNZOODZAOMATWCF-UHFFFAOYSA-N
XLogP0.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126852374
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 129354873
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 119105527
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
CID 121017957
6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121164410
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873510
6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 154841006

Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (CID 121197470) is 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC(OCC3CC3)C2)ccc1=O.
What is the InChIKey of 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is NZOODZAOMATWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-13(18)5-4-12(15-16)14(19)17-7-6-11(8-17)20-9-10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 277.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 121197470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).