6-[(6-methylpyridazin-3-yl)amino]hexanoic acid

C11H17N3O2 — CID 114987459

IUPAC6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
SMILESCc1ccc(NCCCCCC(=O)O)nn1
InChIInChI=1S/C11H17N3O2/c1-9-6-7-10(14-13-9)12-8-4-2-3-5-11(15)16/h6-7H,2-5,8H2,1H3,(H,12,14)(H,15,16)
InChIKeyYWQZAEBILZAGSZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.84
Rot. Bonds7

About 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid

6-[(6-methylpyridazin-3-yl)amino]hexanoic acid (PubChem CID 114987459) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
PubChem CID114987459
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
SMILESCc1ccc(NCCCCCC(=O)O)nn1
InChIInChI=1S/C11H17N3O2/c1-9-6-7-10(14-13-9)12-8-4-2-3-5-11(15)16/h6-7H,2-5,8H2,1H3,(H,12,14)(H,15,16)
InChIKeyYWQZAEBILZAGSZ-UHFFFAOYSA-N
XLogP1.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.84
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

6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
6-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]hexanoic acid
CID 66288196
1-[(6-methylpyridazin-3-yl)amino]propan-2-one
CID 116972083
7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
CID 64588541
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
7-[(6-ethoxypyrimidin-4-yl)amino]heptanoic acid
CID 66318771
4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82060932
2-chloro-N-(6-methylpyridazin-3-yl)acetamide
CID 166407156
dodecanedioic acid;1,4-xylene
CID 66586315
5-anilinopentanoic acid
CID 28972030

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid?
The IUPAC name of 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid (CID 114987459) is 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid is Cc1ccc(NCCCCCC(=O)O)nn1.
What is the InChIKey of 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid?
The InChIKey is YWQZAEBILZAGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-6-7-10(14-13-9)12-8-4-2-3-5-11(15)16/h6-7H,2-5,8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid?
6-[(6-methylpyridazin-3-yl)amino]hexanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methylpyridazin-3-yl)amino]hexanoic acid is sourced from PubChem (CID 114987459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).