3-propylpyridazine

C7H9N2+ — CID 90878505

IUPAC3-propylpyridazine
SMILESC[CH+]Cc1cccnn1
InChIInChI=1S/C7H9N2/c1-2-4-7-5-3-6-8-9-7/h2-3,5-6H,4H2,1H3/q+1
InChIKeyUEBTYHGFAXRJDO-UHFFFAOYSA-N
MW121.16 g/mol
LogP1.24
Rot. Bonds2

About 3-propylpyridazine

3-propylpyridazine (PubChem CID 90878505) has the molecular formula C7H9N2+ and a molecular weight of 121.16 g/mol. Its IUPAC name is 3-propylpyridazine.

Molecular Properties

Compound Name3-propylpyridazine
PubChem CID90878505
Molecular FormulaC7H9N2+
Molecular Weight121.16 g/mol
Exact Mass121.08
IUPAC Name3-propylpyridazine
SMILESC[CH+]Cc1cccnn1
InChIInChI=1S/C7H9N2/c1-2-4-7-5-3-6-8-9-7/h2-3,5-6H,4H2,1H3/q+1
InChIKeyUEBTYHGFAXRJDO-UHFFFAOYSA-N
XLogP1.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propylpyridazine?
The IUPAC name of 3-propylpyridazine (CID 90878505) is 3-propylpyridazine.
What is the SMILES notation for 3-propylpyridazine?
The canonical SMILES for 3-propylpyridazine is C[CH+]Cc1cccnn1.
What is the InChIKey of 3-propylpyridazine?
The InChIKey is UEBTYHGFAXRJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2/c1-2-4-7-5-3-6-8-9-7/h2-3,5-6H,4H2,1H3/q+1.
What are the key properties of 3-propylpyridazine?
3-propylpyridazine has a molecular weight of 121.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylpyridazine is sourced from PubChem (CID 90878505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).