3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one

C14H15N5O3 — CID 91627317

IUPAC3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1
InChIInChI=1S/C14H15N5O3/c1-9-2-5-13(18-15-9)22-10-6-7-19(8-10)14(21)11-3-4-12(20)17-16-11/h2-5,10H,6-8H2,1H3,(H,17,20)
InChIKeyPBSRDXZCHFKWNN-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.16
Rot. Bonds3

About 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 91627317) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID91627317
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1
InChIInChI=1S/C14H15N5O3/c1-9-2-5-13(18-15-9)22-10-6-7-19(8-10)14(21)11-3-4-12(20)17-16-11/h2-5,10H,6-8H2,1H3,(H,17,20)
InChIKeyPBSRDXZCHFKWNN-UHFFFAOYSA-N
XLogP0.16
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100625527
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
1H-indol-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626807
3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 91625419
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100627350
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
(5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 91627370
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one (CID 91627317) is 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one is Cc1ccc(OC2CCN(C(=O)c3ccc(=O)[nH]n3)C2)nn1.
What is the InChIKey of 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is PBSRDXZCHFKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-9-2-5-13(18-15-9)22-10-6-7-19(8-10)14(21)11-3-4-12(20)17-16-11/h2-5,10H,6-8H2,1H3,(H,17,20).
What are the key properties of 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 301.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 91627317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).