[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C15H16N8O2 — CID 121163236

IUPAC[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C15H16N8O2/c24-15(14-16-10-17-21-14)22-8-4-11(5-9-22)25-13-3-2-12(19-20-13)23-7-1-6-18-23/h1-3,6-7,10-11H,4-5,8-9H2,(H,16,17,21)
InChIKeyABHCENXTZPGRBC-UHFFFAOYSA-N
MW340.35 g/mol
LogP0.46
Rot. Bonds4

About [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 121163236) has the molecular formula C15H16N8O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID121163236
Molecular FormulaC15H16N8O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C15H16N8O2/c24-15(14-16-10-17-21-14)22-8-4-11(5-9-22)25-13-3-2-12(19-20-13)23-7-1-6-18-23/h1-3,6-7,10-11H,4-5,8-9H2,(H,16,17,21)
InChIKeyABHCENXTZPGRBC-UHFFFAOYSA-N
XLogP0.46
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-iodophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163196
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019
naphthalen-2-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163039
(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163085
oxan-4-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163206
(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 90638405
(2,3-dimethoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163003
2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121162979
1-adamantyl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121162974
N-propyl-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 121163347
(3-fluoro-4-methoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163245
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163177

Frequently Asked Questions

What is the IUPAC name of [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 121163236) is [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is ABHCENXTZPGRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2/c24-15(14-16-10-17-21-14)22-8-4-11(5-9-22)25-13-3-2-12(19-20-13)23-7-1-6-18-23/h1-3,6-7,10-11H,4-5,8-9H2,(H,16,17,21).
What are the key properties of [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 340.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 121163236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).