5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one

C8H6ClN3O2 — CID 117127372

IUPAC5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one
SMILESNc1c(-c2ccc(Cl)o2)cn[nH]c1=O
InChIInChI=1S/C8H6ClN3O2/c9-6-2-1-5(14-6)4-3-11-12-8(13)7(4)10/h1-3H,(H2,10,11)(H,12,13)
InChIKeyWQYDTXZBZUBAPD-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.27
Rot. Bonds1

About 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one

5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one (PubChem CID 117127372) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one
PubChem CID117127372
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one
SMILESNc1c(-c2ccc(Cl)o2)cn[nH]c1=O
InChIInChI=1S/C8H6ClN3O2/c9-6-2-1-5(14-6)4-3-11-12-8(13)7(4)10/h1-3H,(H2,10,11)(H,12,13)
InChIKeyWQYDTXZBZUBAPD-UHFFFAOYSA-N
XLogP1.27
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
CID 117127370
5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one
CID 117127376
5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
CID 117127405
5-chloro-4-methyl-1H-pyridazin-6-one;ethane
CID 143900026
4-(aminomethyl)-5-chloro-1H-pyridazin-6-one
CID 84650975
5-(5-chlorofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 106690695
CID 70486296
CID 70486296
4-(1-benzofuran-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 25015100
4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
CID 106690672
5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine
CID 115109572
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole
CID 106688168

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one (CID 117127372) is 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one is Nc1c(-c2ccc(Cl)o2)cn[nH]c1=O.
What is the InChIKey of 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one?
The InChIKey is WQYDTXZBZUBAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-6-2-1-5(14-6)4-3-11-12-8(13)7(4)10/h1-3H,(H2,10,11)(H,12,13).
What are the key properties of 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one?
5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one has a molecular weight of 211.61 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-chlorofuran-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117127372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).