2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

C18H18N8O2 — CID 126863319

IUPAC2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESO=c1ccc(-n2cncn2)nn1CC1CCN(c2nncc3ccoc23)CC1
InChIInChI=1S/C18H18N8O2/c27-16-2-1-15(26-12-19-11-21-26)23-25(16)10-13-3-6-24(7-4-13)18-17-14(5-8-28-17)9-20-22-18/h1-2,5,8-9,11-13H,3-4,6-7,10H2
InChIKeyLUEDJUTUHBAYHH-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.28
Rot. Bonds4

About 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (PubChem CID 126863319) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
PubChem CID126863319
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESO=c1ccc(-n2cncn2)nn1CC1CCN(c2nncc3ccoc23)CC1
InChIInChI=1S/C18H18N8O2/c27-16-2-1-15(26-12-19-11-21-26)23-25(16)10-13-3-6-24(7-4-13)18-17-14(5-8-28-17)9-20-22-18/h1-2,5,8-9,11-13H,3-4,6-7,10H2
InChIKeyLUEDJUTUHBAYHH-UHFFFAOYSA-N
XLogP1.28
TPSA107.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-[[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]methyl]piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126863346
2-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863276
2-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863224
2-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863349
2-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863300
2-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863285
2-[[1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863164
6-cyclopropyl-2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923703
N-(oxolan-2-ylmethyl)-4-[[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]methyl]piperidine-1-carboxamide
CID 126863153
6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126865320
2-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863179
6-(1,2,4-triazol-1-yl)-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126863355

Frequently Asked Questions

What is the IUPAC name of 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (CID 126863319) is 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is O=c1ccc(-n2cncn2)nn1CC1CCN(c2nncc3ccoc23)CC1.
What is the InChIKey of 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The InChIKey is LUEDJUTUHBAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c27-16-2-1-15(26-12-19-11-21-26)23-25(16)10-13-3-6-24(7-4-13)18-17-14(5-8-28-17)9-20-22-18/h1-2,5,8-9,11-13H,3-4,6-7,10H2.
What are the key properties of 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one has a molecular weight of 378.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126863319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).