2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid

C11H10N6O3 — CID 78980675

IUPAC2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNc2ccc3nnnn3n2)cc1C(=O)O
InChIInChI=1S/C11H10N6O3/c1-6-8(11(18)19)4-7(20-6)5-12-9-2-3-10-13-15-16-17(10)14-9/h2-4H,5H2,1H3,(H,12,14)(H,18,19)
InChIKeyDDHIMNBGTXGWHD-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.73
Rot. Bonds4

About 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid

2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 78980675) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid
PubChem CID78980675
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNc2ccc3nnnn3n2)cc1C(=O)O
InChIInChI=1S/C11H10N6O3/c1-6-8(11(18)19)4-7(20-6)5-12-9-2-3-10-13-15-16-17(10)14-9/h2-4H,5H2,1H3,(H,12,14)(H,18,19)
InChIKeyDDHIMNBGTXGWHD-UHFFFAOYSA-N
XLogP0.73
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 114989475
5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 62306705
5-[[(6-cyano-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 64589940
2-methyl-5-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119226184
5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103233707
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
2-methyl-5-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]furan-3-carboxylic acid
CID 61024854
5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103235795
2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
CID 83063021
N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 34014390
(2R,3S)-3-methyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 167933327

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid (CID 78980675) is 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid is Cc1oc(CNc2ccc3nnnn3n2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is DDHIMNBGTXGWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c1-6-8(11(18)19)4-7(20-6)5-12-9-2-3-10-13-15-16-17(10)14-9/h2-4H,5H2,1H3,(H,12,14)(H,18,19).
What are the key properties of 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid?
2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 78980675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).