3-phenyl-6-propan-2-ylpyridazine

C13H14N2 — CID 18340644

IUPAC3-phenyl-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C13H14N2/c1-10(2)12-8-9-13(15-14-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDXMWXMGJQYWIDI-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.27
Rot. Bonds2

About 3-phenyl-6-propan-2-ylpyridazine

3-phenyl-6-propan-2-ylpyridazine (PubChem CID 18340644) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-phenyl-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-phenyl-6-propan-2-ylpyridazine
PubChem CID18340644
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-phenyl-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C13H14N2/c1-10(2)12-8-9-13(15-14-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyDXMWXMGJQYWIDI-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-propan-2-ylpyridazine?
The IUPAC name of 3-phenyl-6-propan-2-ylpyridazine (CID 18340644) is 3-phenyl-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-phenyl-6-propan-2-ylpyridazine?
The canonical SMILES for 3-phenyl-6-propan-2-ylpyridazine is CC(C)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3-phenyl-6-propan-2-ylpyridazine?
The InChIKey is DXMWXMGJQYWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10(2)12-8-9-13(15-14-12)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 3-phenyl-6-propan-2-ylpyridazine?
3-phenyl-6-propan-2-ylpyridazine has a molecular weight of 198.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-propan-2-ylpyridazine is sourced from PubChem (CID 18340644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).