2-prop-2-enyl-1H-pyridazine

C7H10N2 — CID 141489264

IUPAC2-prop-2-enyl-1H-pyridazine
SMILESC=CCN1C=CC=CN1
InChIInChI=1S/C7H10N2/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InChIKeyRYZLDSQODIHXKH-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.02
Rot. Bonds2

About 2-prop-2-enyl-1H-pyridazine

2-prop-2-enyl-1H-pyridazine (PubChem CID 141489264) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-prop-2-enyl-1H-pyridazine.

Molecular Properties

Compound Name2-prop-2-enyl-1H-pyridazine
PubChem CID141489264
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-prop-2-enyl-1H-pyridazine
SMILESC=CCN1C=CC=CN1
InChIInChI=1S/C7H10N2/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InChIKeyRYZLDSQODIHXKH-UHFFFAOYSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1H-pyridazine?
The IUPAC name of 2-prop-2-enyl-1H-pyridazine (CID 141489264) is 2-prop-2-enyl-1H-pyridazine.
What is the SMILES notation for 2-prop-2-enyl-1H-pyridazine?
The canonical SMILES for 2-prop-2-enyl-1H-pyridazine is C=CCN1C=CC=CN1.
What is the InChIKey of 2-prop-2-enyl-1H-pyridazine?
The InChIKey is RYZLDSQODIHXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2.
What are the key properties of 2-prop-2-enyl-1H-pyridazine?
2-prop-2-enyl-1H-pyridazine has a molecular weight of 122.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1H-pyridazine is sourced from PubChem (CID 141489264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).