1-pyridazin-3-ylpiperidine-3-carbaldehyde

C10H13N3O — CID 62664168

IUPAC1-pyridazin-3-ylpiperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2cccnn2)C1
InChIInChI=1S/C10H13N3O/c14-8-9-3-2-6-13(7-9)10-4-1-5-11-12-10/h1,4-5,8-9H,2-3,6-7H2
InChIKeyNZXALNOTYCCXSD-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.89
Rot. Bonds2

About 1-pyridazin-3-ylpiperidine-3-carbaldehyde

1-pyridazin-3-ylpiperidine-3-carbaldehyde (PubChem CID 62664168) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-pyridazin-3-ylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-pyridazin-3-ylpiperidine-3-carbaldehyde
PubChem CID62664168
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-pyridazin-3-ylpiperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2cccnn2)C1
InChIInChI=1S/C10H13N3O/c14-8-9-3-2-6-13(7-9)10-4-1-5-11-12-10/h1,4-5,8-9H,2-3,6-7H2
InChIKeyNZXALNOTYCCXSD-UHFFFAOYSA-N
XLogP0.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-ylpiperidine-3-carbaldehyde?
The IUPAC name of 1-pyridazin-3-ylpiperidine-3-carbaldehyde (CID 62664168) is 1-pyridazin-3-ylpiperidine-3-carbaldehyde.
What is the SMILES notation for 1-pyridazin-3-ylpiperidine-3-carbaldehyde?
The canonical SMILES for 1-pyridazin-3-ylpiperidine-3-carbaldehyde is O=CC1CCCN(c2cccnn2)C1.
What is the InChIKey of 1-pyridazin-3-ylpiperidine-3-carbaldehyde?
The InChIKey is NZXALNOTYCCXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-8-9-3-2-6-13(7-9)10-4-1-5-11-12-10/h1,4-5,8-9H,2-3,6-7H2.
What are the key properties of 1-pyridazin-3-ylpiperidine-3-carbaldehyde?
1-pyridazin-3-ylpiperidine-3-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-ylpiperidine-3-carbaldehyde is sourced from PubChem (CID 62664168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).