(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C11H12N6O2 — CID 90638405

IUPAC(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C11H12N6O2/c18-11(10-12-7-14-16-10)17-5-3-8(6-17)19-9-2-1-4-13-15-9/h1-2,4,7-8H,3,5-6H2,(H,12,14,16)
InChIKeyAYAIUWLIARKLIS-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.11
Rot. Bonds3

About (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 90638405) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID90638405
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C11H12N6O2/c18-11(10-12-7-14-16-10)17-5-3-8(6-17)19-9-2-1-4-13-15-9/h1-2,4,7-8H,3,5-6H2,(H,12,14,16)
InChIKeyAYAIUWLIARKLIS-UHFFFAOYSA-N
XLogP-0.11
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(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
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
(3-pyrimidin-2-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122257461
[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 121163236
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638178
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620291
6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 100622739

Frequently Asked Questions

What is the IUPAC name of (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 90638405) is (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is AYAIUWLIARKLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c18-11(10-12-7-14-16-10)17-5-3-8(6-17)19-9-2-1-4-13-15-9/h1-2,4,7-8H,3,5-6H2,(H,12,14,16).
What are the key properties of (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 260.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 90638405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).