4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C10H13N5O2 — CID 174609666

IUPAC4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNNc1ccc(C2=CCN(C(=O)O)CC2)nn1
InChIInChI=1S/C10H13N5O2/c11-12-9-2-1-8(13-14-9)7-3-5-15(6-4-7)10(16)17/h1-3H,4-6,11H2,(H,12,14)(H,16,17)
InChIKeyZMVPAVWSPCZOFI-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.53
Rot. Bonds2

About 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 174609666) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID174609666
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNNc1ccc(C2=CCN(C(=O)O)CC2)nn1
InChIInChI=1S/C10H13N5O2/c11-12-9-2-1-8(13-14-9)7-3-5-15(6-4-7)10(16)17/h1-3H,4-6,11H2,(H,12,14)(H,16,17)
InChIKeyZMVPAVWSPCZOFI-UHFFFAOYSA-N
XLogP0.53
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 121414958
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175122167
4-[6-(chloromethyl)-5-methoxy-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 166681717
4-(2-acetylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 69141777
4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157444833
4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66958163
N,2-dimethylpropan-2-amine;4-[1-(2-fluorophenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 69462125
4-[3-[(1S)-1-hydroxy-2-methoxy-2-oxo-1-phenylethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 159113094
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149838
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139548032

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 174609666) is 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is NNc1ccc(C2=CCN(C(=O)O)CC2)nn1.
What is the InChIKey of 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ZMVPAVWSPCZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-12-9-2-1-8(13-14-9)7-3-5-15(6-4-7)10(16)17/h1-3H,4-6,11H2,(H,12,14)(H,16,17).
What are the key properties of 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 235.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydrazinylpyridazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 174609666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).