(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C18H16N8O2S — CID 72719904

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C18H16N8O2S/c27-18(13-10-14(28-23-13)15-2-1-9-29-15)25-7-5-24(6-8-25)16-3-4-17(22-21-16)26-12-19-11-20-26/h1-4,9-12H,5-8H2
InChIKeyJTRXWBXWPSPQCP-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.74
Rot. Bonds4

About (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 72719904) has the molecular formula C18H16N8O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID72719904
Molecular FormulaC18H16N8O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C18H16N8O2S/c27-18(13-10-14(28-23-13)15-2-1-9-29-15)25-7-5-24(6-8-25)16-3-4-17(22-21-16)26-12-19-11-20-26/h1-4,9-12H,5-8H2
InChIKeyJTRXWBXWPSPQCP-UHFFFAOYSA-N
XLogP1.74
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 72719904) is (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is JTRXWBXWPSPQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2S/c27-18(13-10-14(28-23-13)15-2-1-9-29-15)25-7-5-24(6-8-25)16-3-4-17(22-21-16)26-12-19-11-20-26/h1-4,9-12H,5-8H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 408.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 72719904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).