(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone

C14H15N5O2 — CID 100623677

IUPAC(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CC[C@@H](Oc3cccnn3)C2)cn1
InChIInChI=1S/C14H15N5O2/c1-10-7-16-12(8-15-10)14(20)19-6-4-11(9-19)21-13-3-2-5-17-18-13/h2-3,5,7-8,11H,4,6,9H2,1H3/t11-/m1/s1
InChIKeyXYMZMTNYGIFXQG-LLVKDONJSA-N
MW285.31 g/mol
LogP0.87
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone (PubChem CID 100623677) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
PubChem CID100623677
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CC[C@@H](Oc3cccnn3)C2)cn1
InChIInChI=1S/C14H15N5O2/c1-10-7-16-12(8-15-10)14(20)19-6-4-11(9-19)21-13-3-2-5-17-18-13/h2-3,5,7-8,11H,4,6,9H2,1H3/t11-/m1/s1
InChIKeyXYMZMTNYGIFXQG-LLVKDONJSA-N
XLogP0.87
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638410
[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 100623567
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 90638405
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone (CID 100623677) is (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone is Cc1cnc(C(=O)N2CC[C@@H](Oc3cccnn3)C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The InChIKey is XYMZMTNYGIFXQG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-10-7-16-12(8-15-10)14(20)19-6-4-11(9-19)21-13-3-2-5-17-18-13/h2-3,5,7-8,11H,4,6,9H2,1H3/t11-/m1/s1.
What are the key properties of (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone has a molecular weight of 285.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100623677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).