5-(pyridazin-3-ylmethylamino)pentanoic acid

C10H15N3O2 — CID 106896706

IUPAC5-(pyridazin-3-ylmethylamino)pentanoic acid
SMILESO=C(O)CCCCNCc1cccnn1
InChIInChI=1S/C10H15N3O2/c14-10(15)5-1-2-6-11-8-9-4-3-7-12-13-9/h3-4,7,11H,1-2,5-6,8H2,(H,14,15)
InChIKeyTUVJEUFFCHQYTH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.82
Rot. Bonds7

About 5-(pyridazin-3-ylmethylamino)pentanoic acid

5-(pyridazin-3-ylmethylamino)pentanoic acid (PubChem CID 106896706) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(pyridazin-3-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(pyridazin-3-ylmethylamino)pentanoic acid
PubChem CID106896706
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(pyridazin-3-ylmethylamino)pentanoic acid
SMILESO=C(O)CCCCNCc1cccnn1
InChIInChI=1S/C10H15N3O2/c14-10(15)5-1-2-6-11-8-9-4-3-7-12-13-9/h3-4,7,11H,1-2,5-6,8H2,(H,14,15)
InChIKeyTUVJEUFFCHQYTH-UHFFFAOYSA-N
XLogP0.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895580
4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol
CID 112742140
8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807
2-methyl-3-(pyridazin-3-ylmethylamino)propanoic acid
CID 106895586
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
4-(pyrimidin-4-ylmethylamino)butanoic acid
CID 62747116
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
CID 106895597
5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106896708

Frequently Asked Questions

What is the IUPAC name of 5-(pyridazin-3-ylmethylamino)pentanoic acid?
The IUPAC name of 5-(pyridazin-3-ylmethylamino)pentanoic acid (CID 106896706) is 5-(pyridazin-3-ylmethylamino)pentanoic acid.
What is the SMILES notation for 5-(pyridazin-3-ylmethylamino)pentanoic acid?
The canonical SMILES for 5-(pyridazin-3-ylmethylamino)pentanoic acid is O=C(O)CCCCNCc1cccnn1.
What is the InChIKey of 5-(pyridazin-3-ylmethylamino)pentanoic acid?
The InChIKey is TUVJEUFFCHQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(15)5-1-2-6-11-8-9-4-3-7-12-13-9/h3-4,7,11H,1-2,5-6,8H2,(H,14,15).
What are the key properties of 5-(pyridazin-3-ylmethylamino)pentanoic acid?
5-(pyridazin-3-ylmethylamino)pentanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridazin-3-ylmethylamino)pentanoic acid is sourced from PubChem (CID 106896706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).