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

C8H7N3O2 — CID 117127370

IUPAC5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
SMILESNc1c(-c2ccco2)cn[nH]c1=O
InChIInChI=1S/C8H7N3O2/c9-7-5(4-10-11-8(7)12)6-2-1-3-13-6/h1-4H,(H2,9,10)(H,11,12)
InChIKeyYIDJSSLYQVPJJP-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.61
Rot. Bonds1

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

5-amino-4-(furan-2-yl)-1H-pyridazin-6-one (PubChem CID 117127370) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
PubChem CID117127370
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-amino-4-(furan-2-yl)-1H-pyridazin-6-one
SMILESNc1c(-c2ccco2)cn[nH]c1=O
InChIInChI=1S/C8H7N3O2/c9-7-5(4-10-11-8(7)12)6-2-1-3-13-6/h1-4H,(H2,9,10)(H,11,12)
InChIKeyYIDJSSLYQVPJJP-UHFFFAOYSA-N
XLogP0.61
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
CID 117127405
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
CID 51589117
4-chloro-7-(furan-2-yl)-1H-indazole
CID 168526868
5-amino-4-(5-bromothiophen-2-yl)-1H-pyridazin-6-one
CID 117127376
[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 79487509
2-amino-3-(furan-2-yl)benzoic acid
CID 10798178
4-(furan-2-yl)-5-thia-2,3,7,10,11-pentazatricyclo[6.4.0.02,6]dodeca-1(8),3,6,11-tetraen-9-one
CID 11492616
6-amino-3-(furan-2-yl)pyridine-2-carboxylic acid
CID 53229114
2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 135724995
2,4-dibromo-6-(furan-2-yl)aniline
CID 11267081
5-(furan-2-yl)-1H-pyrimidin-2-one
CID 53222218
5-[2-(furan-2-yl)phenyl]-1,3-oxazole
CID 168525054

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one (CID 117127370) is 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one is Nc1c(-c2ccco2)cn[nH]c1=O.
What is the InChIKey of 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one?
The InChIKey is YIDJSSLYQVPJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-7-5(4-10-11-8(7)12)6-2-1-3-13-6/h1-4H,(H2,9,10)(H,11,12).
What are the key properties of 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one?
5-amino-4-(furan-2-yl)-1H-pyridazin-6-one has a molecular weight of 177.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(furan-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 117127370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).