3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid

C12H15N3O2 — CID 106178584

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCCC1=CCCC1
InChIInChI=1S/C12H15N3O2/c16-12(17)10-6-8-14-15-11(10)13-7-5-9-3-1-2-4-9/h3,6,8H,1-2,4-5,7H2,(H,13,15)(H,16,17)
InChIKeyGEDGVDHOUPWRPM-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.09
Rot. Bonds5

About 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid

3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid (PubChem CID 106178584) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
PubChem CID106178584
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCCC1=CCCC1
InChIInChI=1S/C12H15N3O2/c16-12(17)10-6-8-14-15-11(10)13-7-5-9-3-1-2-4-9/h3,6,8H,1-2,4-5,7H2,(H,13,15)(H,16,17)
InChIKeyGEDGVDHOUPWRPM-UHFFFAOYSA-N
XLogP2.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106178559
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 114186957
methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate
CID 60712823
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
5-[2-(cyclopenten-1-yl)ethylamino]-2-(trifluoromethyl)benzoic acid
CID 106178585
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
4-[2-(cyclohexen-1-yl)ethylamino]-2,3-difluorobenzoic acid
CID 79838078
4-[2-(cyclopenten-1-yl)ethylamino]-2-nitrobenzoic acid
CID 106177272
3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid
CID 106178566
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid (CID 106178584) is 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NCCC1=CCCC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid?
The InChIKey is GEDGVDHOUPWRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-12(17)10-6-8-14-15-11(10)13-7-5-9-3-1-2-4-9/h3,6,8H,1-2,4-5,7H2,(H,13,15)(H,16,17).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid?
3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 106178584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).