2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide

C12H14N4O3 — CID 75679857

IUPAC2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2cc(N)c(=O)n(C(C)C(N)=O)n2)o1
InChIInChI=1S/C12H14N4O3/c1-6-3-4-10(19-6)9-5-8(13)12(18)16(15-9)7(2)11(14)17/h3-5,7H,13H2,1-2H3,(H2,14,17)
InChIKeyQRGQAGWAPQRFRW-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.44
Rot. Bonds3

About 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide

2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 75679857) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID75679857
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2cc(N)c(=O)n(C(C)C(N)=O)n2)o1
InChIInChI=1S/C12H14N4O3/c1-6-3-4-10(19-6)9-5-8(13)12(18)16(15-9)7(2)11(14)17/h3-5,7H,13H2,1-2H3,(H2,14,17)
InChIKeyQRGQAGWAPQRFRW-UHFFFAOYSA-N
XLogP0.44
TPSA117.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
CID 16676518
4-Amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
CID 16676621
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16676651
2,2,2-trifluoro-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 16905497
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
CID 46961152
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 46961343
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 46961350
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 46961632
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide
CID 46961636
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-propylpropanamide
CID 46961638
4-Amino-6-(2,5-dimethylfuran-3-yl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 46961833
5-(2-furyl)-N-isopropyl-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 6625780

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide (CID 75679857) is 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(-c2cc(N)c(=O)n(C(C)C(N)=O)n2)o1.
What is the InChIKey of 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is QRGQAGWAPQRFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-3-4-10(19-6)9-5-8(13)12(18)16(15-9)7(2)11(14)17/h3-5,7H,13H2,1-2H3,(H2,14,17).
What are the key properties of 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide?
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 262.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 75679857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).