N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide

C17H12FN5O2 — CID 91909364

IUPACN-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCc1nnc2ccc(-c3ccc(F)cc3)nn12)c1ccoc1
InChIInChI=1S/C17H12FN5O2/c18-13-3-1-11(2-4-13)14-5-6-15-20-21-16(23(15)22-14)9-19-17(24)12-7-8-25-10-12/h1-8,10H,9H2,(H,19,24)
InChIKeyRBNVLYHYDQENQA-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.45
Rot. Bonds4

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

N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide (PubChem CID 91909364) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide
PubChem CID91909364
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC NameN-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCc1nnc2ccc(-c3ccc(F)cc3)nn12)c1ccoc1
InChIInChI=1S/C17H12FN5O2/c18-13-3-1-11(2-4-13)14-5-6-15-20-21-16(23(15)22-14)9-19-17(24)12-7-8-25-10-12/h1-8,10H,9H2,(H,19,24)
InChIKeyRBNVLYHYDQENQA-UHFFFAOYSA-N
XLogP2.45
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide (CID 91909364) is N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide is O=C(NCc1nnc2ccc(-c3ccc(F)cc3)nn12)c1ccoc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is RBNVLYHYDQENQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-13-3-1-11(2-4-13)14-5-6-15-20-21-16(23(15)22-14)9-19-17(24)12-7-8-25-10-12/h1-8,10H,9H2,(H,19,24).
What are the key properties of N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide?
N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 91909364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).