cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C16H18N4O2 — CID 40804993

IUPACcyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C16H18N4O2/c21-16(12-3-4-12)20-9-7-19(8-10-20)15-6-5-13(17-18-15)14-2-1-11-22-14/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyDLNDNPJITHRVRA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.80
Rot. Bonds3

About cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 40804993) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID40804993
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namecyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C16H18N4O2/c21-16(12-3-4-12)20-9-7-19(8-10-20)15-6-5-13(17-18-15)14-2-1-11-22-14/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyDLNDNPJITHRVRA-UHFFFAOYSA-N
XLogP1.80
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 30364279
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071687
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 121058794
ethyl 4-[(3R)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 30866545
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 121071483
N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364520
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121058795
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 41233208

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 40804993) is cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is DLNDNPJITHRVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(12-3-4-12)20-9-7-19(8-10-20)15-6-5-13(17-18-15)14-2-1-11-22-14/h1-2,5-6,11-12H,3-4,7-10H2.
What are the key properties of cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 40804993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).