5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid

C10H10N4O3 — CID 106896708

IUPAC5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCc2cccnn2)on1
InChIInChI=1S/C10H10N4O3/c15-10(16)9-4-8(17-14-9)6-11-5-7-2-1-3-12-13-7/h1-4,11H,5-6H2,(H,15,16)
InChIKeyIPLRABVFQZXXFD-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.45
Rot. Bonds5

About 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid

5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 106896708) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID106896708
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCc2cccnn2)on1
InChIInChI=1S/C10H10N4O3/c15-10(16)9-4-8(17-14-9)6-11-5-7-2-1-3-12-13-7/h1-4,11H,5-6H2,(H,15,16)
InChIKeyIPLRABVFQZXXFD-UHFFFAOYSA-N
XLogP0.45
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(pyridazin-3-ylmethylamino)methyl]furan-3-carboxylic acid
CID 106896707
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243341
5-[[2-(carbamoylamino)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262446
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103254641
3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 106896733
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
CID 106895586
5-(pyridazin-3-ylmethylamino)pentanoic acid
CID 106896706

Frequently Asked Questions

What is the IUPAC name of 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid (CID 106896708) is 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CNCc2cccnn2)on1.
What is the InChIKey of 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is IPLRABVFQZXXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-10(16)9-4-8(17-14-9)6-11-5-7-2-1-3-12-13-7/h1-4,11H,5-6H2,(H,15,16).
What are the key properties of 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 106896708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).