2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine

C14H19BrN2 — CID 123444583

IUPAC2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine
SMILESC=C(C=CC(Br)=CCCC)N1CC=CC(C)=N1
InChIInChI=1S/C14H19BrN2/c1-4-5-8-14(15)10-9-13(3)17-11-6-7-12(2)16-17/h6-10H,3-5,11H2,1-2H3
InChIKeyIDWWZAVLIVWFNN-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.38
Rot. Bonds5

About 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine

2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine (PubChem CID 123444583) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine.

Molecular Properties

Compound Name2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine
PubChem CID123444583
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine
SMILESC=C(C=CC(Br)=CCCC)N1CC=CC(C)=N1
InChIInChI=1S/C14H19BrN2/c1-4-5-8-14(15)10-9-13(3)17-11-6-7-12(2)16-17/h6-10H,3-5,11H2,1-2H3
InChIKeyIDWWZAVLIVWFNN-UHFFFAOYSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-2,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123320471
(6E)-5-bromo-1-[(Z)-but-2-en-2-yl]-6-butylidene-3-chloropyridazine;ethane
CID 144342470
1,3-Dimethyl-6-methylidenepyridazine;ethane
CID 145026718
(6Z)-1-ethenyl-6-ethylidene-3-methylpyridazine
CID 164594205
N-ethyl-N-(propan-2-ylideneamino)cyclohepta-1,6-dien-1-amine
CID 166726117
3-methyl-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine
CID 166858878
(2E)-2-[[(2E)-3-bromo-2-butylidene-1-pyridinyl]imino]-N,N-dimethylpropan-1-amine
CID 172375798
(3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine
CID 173499145
(6E)-5-bromo-1-[(Z)-but-2-en-2-yl]-6-butylidene-3-chloropyridazine
CID 144342471

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine?
The IUPAC name of 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine (CID 123444583) is 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine.
What is the SMILES notation for 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine?
The canonical SMILES for 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine is C=C(C=CC(Br)=CCCC)N1CC=CC(C)=N1.
What is the InChIKey of 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine?
The InChIKey is IDWWZAVLIVWFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-4-5-8-14(15)10-9-13(3)17-11-6-7-12(2)16-17/h6-10H,3-5,11H2,1-2H3.
What are the key properties of 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine?
2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine has a molecular weight of 295.22 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromonona-1,3,5-trien-2-yl)-6-methyl-3H-pyridazine is sourced from PubChem (CID 123444583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).