4-butylpyridazine

C8H12N2 — CID 91513469

IUPAC4-butylpyridazine
SMILESCCCCc1ccnnc1
InChIInChI=1S/C8H12N2/c1-2-3-4-8-5-6-9-10-7-8/h5-7H,2-4H2,1H3
InChIKeyNDBOLTCRMZUVTH-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds3

About 4-butylpyridazine

4-butylpyridazine (PubChem CID 91513469) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-butylpyridazine.

Molecular Properties

Compound Name4-butylpyridazine
PubChem CID91513469
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-butylpyridazine
SMILESCCCCc1ccnnc1
InChIInChI=1S/C8H12N2/c1-2-3-4-8-5-6-9-10-7-8/h5-7H,2-4H2,1H3
InChIKeyNDBOLTCRMZUVTH-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butylpyridazine?
The IUPAC name of 4-butylpyridazine (CID 91513469) is 4-butylpyridazine.
What is the SMILES notation for 4-butylpyridazine?
The canonical SMILES for 4-butylpyridazine is CCCCc1ccnnc1.
What is the InChIKey of 4-butylpyridazine?
The InChIKey is NDBOLTCRMZUVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-3-4-8-5-6-9-10-7-8/h5-7H,2-4H2,1H3.
What are the key properties of 4-butylpyridazine?
4-butylpyridazine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylpyridazine is sourced from PubChem (CID 91513469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).