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

C17H13N5O2 — CID 91893373

IUPACN-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide
SMILESO=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1ccoc1
InChIInChI=1S/C17H13N5O2/c23-17(13-8-9-24-11-13)18-10-16-20-19-15-7-6-14(21-22(15)16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,23)
InChIKeyRAADJMVMHSKPFC-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.31
Rot. Bonds4

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

N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide (PubChem CID 91893373) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide
PubChem CID91893373
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC NameN-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide
SMILESO=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1ccoc1
InChIInChI=1S/C17H13N5O2/c23-17(13-8-9-24-11-13)18-10-16-20-19-15-7-6-14(21-22(15)16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,23)
InChIKeyRAADJMVMHSKPFC-UHFFFAOYSA-N
XLogP2.31
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-fluorophenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-yl]furan-3-carboxamide
CID 71723579
N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-2-methyl-3-furancarboxamide
CID 16225493
N-(2-furylmethyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 807565
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 5307926
N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)furan-3-carboxamide
CID 44590915
[4-(2,5-Diphenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazinyl]-(3-furanyl)methanone
CID 44602406
Furan-3-yl-[4-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-4-ium-1-yl]methanone chloride
CID 44607590
3-Furanyl-[4-[2-(4-methoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
CID 44607592
[4-[2-(4-Bromophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone
CID 44623844
[4-[2-(3-Chlorophenyl)-5-(3-pyridinyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone
CID 44629742
3-Furanyl-[4-[2-(4-methoxyphenyl)-5,6-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
CID 44629744
[4-[2-(3-Chlorophenyl)-5-(3-methoxyphenyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone
CID 44630538

Frequently Asked Questions

What is the IUPAC name of N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide (CID 91893373) is N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide is O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1ccoc1.
What is the InChIKey of N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide?
The InChIKey is RAADJMVMHSKPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-17(13-8-9-24-11-13)18-10-16-20-19-15-7-6-14(21-22(15)16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,23).
What are the key properties of N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide?
N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 91893373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).