3-methyl-4-propylpyridazine

C8H12N2 — CID 22419377

IUPAC3-methyl-4-propylpyridazine
SMILESCCCc1ccnnc1C
InChIInChI=1S/C8H12N2/c1-3-4-8-5-6-9-10-7(8)2/h5-6H,3-4H2,1-2H3
InChIKeyCNBWBRUYJGYRSE-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.74
Rot. Bonds2

About 3-methyl-4-propylpyridazine

3-methyl-4-propylpyridazine (PubChem CID 22419377) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-methyl-4-propylpyridazine.

Molecular Properties

Compound Name3-methyl-4-propylpyridazine
PubChem CID22419377
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-methyl-4-propylpyridazine
SMILESCCCc1ccnnc1C
InChIInChI=1S/C8H12N2/c1-3-4-8-5-6-9-10-7(8)2/h5-6H,3-4H2,1-2H3
InChIKeyCNBWBRUYJGYRSE-UHFFFAOYSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propylpyridazine?
The IUPAC name of 3-methyl-4-propylpyridazine (CID 22419377) is 3-methyl-4-propylpyridazine.
What is the SMILES notation for 3-methyl-4-propylpyridazine?
The canonical SMILES for 3-methyl-4-propylpyridazine is CCCc1ccnnc1C.
What is the InChIKey of 3-methyl-4-propylpyridazine?
The InChIKey is CNBWBRUYJGYRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-8-5-6-9-10-7(8)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-4-propylpyridazine?
3-methyl-4-propylpyridazine has a molecular weight of 136.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propylpyridazine is sourced from PubChem (CID 22419377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).