3-pentylpyridazine

C9H14N2 — CID 19760647

IUPAC3-pentylpyridazine
SMILESCCCCCc1cccnn1
InChIInChI=1S/C9H14N2/c1-2-3-4-6-9-7-5-8-10-11-9/h5,7-8H,2-4,6H2,1H3
InChIKeySRYJJAHAGDPOHL-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds4

About 3-pentylpyridazine

3-pentylpyridazine (PubChem CID 19760647) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-pentylpyridazine.

Molecular Properties

Compound Name3-pentylpyridazine
PubChem CID19760647
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-pentylpyridazine
SMILESCCCCCc1cccnn1
InChIInChI=1S/C9H14N2/c1-2-3-4-6-9-7-5-8-10-11-9/h5,7-8H,2-4,6H2,1H3
InChIKeySRYJJAHAGDPOHL-UHFFFAOYSA-N
XLogP2.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentylpyridazine?
The IUPAC name of 3-pentylpyridazine (CID 19760647) is 3-pentylpyridazine.
What is the SMILES notation for 3-pentylpyridazine?
The canonical SMILES for 3-pentylpyridazine is CCCCCc1cccnn1.
What is the InChIKey of 3-pentylpyridazine?
The InChIKey is SRYJJAHAGDPOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-4-6-9-7-5-8-10-11-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 3-pentylpyridazine?
3-pentylpyridazine has a molecular weight of 150.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylpyridazine is sourced from PubChem (CID 19760647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).