5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide

C18H13N7O2S — CID 91632181

IUPAC5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H13N7O2S/c26-18(13-9-12(20-21-13)14-3-1-7-27-14)19-10-17-23-22-16-6-5-11(24-25(16)17)15-4-2-8-28-15/h1-9H,10H2,(H,19,26)(H,20,21)
InChIKeyDDLKLFJBWOCAGN-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.77
Rot. Bonds5

About 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 91632181) has the molecular formula C18H13N7O2S and a molecular weight of 391.42 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID91632181
Molecular FormulaC18H13N7O2S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Name5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H13N7O2S/c26-18(13-9-12(20-21-13)14-3-1-7-27-14)19-10-17-23-22-16-6-5-11(24-25(16)17)15-4-2-8-28-15/h1-9H,10H2,(H,19,26)(H,20,21)
InChIKeyDDLKLFJBWOCAGN-UHFFFAOYSA-N
XLogP2.77
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide (CID 91632181) is 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1nnc2ccc(-c3cccs3)nn12)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DDLKLFJBWOCAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O2S/c26-18(13-9-12(20-21-13)14-3-1-7-27-14)19-10-17-23-22-16-6-5-11(24-25(16)17)15-4-2-8-28-15/h1-9H,10H2,(H,19,26)(H,20,21).
What are the key properties of 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91632181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).