2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid

C12H13N3O3 — CID 114989475

IUPAC2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
SMILESCc1ccc(NCc2cc(C(=O)O)c(C)o2)nn1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-11(15-14-7)13-6-9-5-10(12(16)17)8(2)18-9/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyNDJFJFIAGWAVFO-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 114989475) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
PubChem CID114989475
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
SMILESCc1ccc(NCc2cc(C(=O)O)c(C)o2)nn1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-11(15-14-7)13-6-9-5-10(12(16)17)8(2)18-9/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyNDJFJFIAGWAVFO-UHFFFAOYSA-N
XLogP2.00
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid
CID 78980675
5-[[(6-cyano-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 64589940
5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 62306705
2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
CID 83063021
5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103235795
5-[(4-carbamoyl-3-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 81261708
5-[(2,6-dibromo-4-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103236805
2-methyl-5-[(2,4,5-trifluoroanilino)methyl]furan-3-carboxylic acid
CID 103249556
5-[(5-chloro-2-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103237912
5-[[(4-cyanopyridazin-3-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 80508614
2-methyl-5-[(2-methylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103230898
5-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114045496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid (CID 114989475) is 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid is Cc1ccc(NCc2cc(C(=O)O)c(C)o2)nn1.
What is the InChIKey of 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is NDJFJFIAGWAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-4-11(15-14-7)13-6-9-5-10(12(16)17)8(2)18-9/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 114989475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).