(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone

C13H13N3O2S — CID 91627208

IUPAC(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C13H13N3O2S/c17-13(11-3-2-8-19-11)16-7-5-10(9-16)18-12-4-1-6-14-15-12/h1-4,6,8,10H,5,7,9H2
InChIKeyCGHOUCFQQLIMPQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.83
Rot. Bonds3

About (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone

(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 91627208) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
PubChem CID91627208
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C13H13N3O2S/c17-13(11-3-2-8-19-11)16-7-5-10(9-16)18-12-4-1-6-14-15-12/h1-4,6,8,10H,5,7,9H2
InChIKeyCGHOUCFQQLIMPQ-UHFFFAOYSA-N
XLogP1.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91904278
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100624368
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 90638405
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321

Frequently Asked Questions

What is the IUPAC name of (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone (CID 91627208) is (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is CGHOUCFQQLIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-13(11-3-2-8-19-11)16-7-5-10(9-16)18-12-4-1-6-14-15-12/h1-4,6,8,10H,5,7,9H2.
What are the key properties of (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone?
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 275.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 91627208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).