3-pentyl-3,4,5,6-tetrahydropyridazine

C9H18N2 — CID 70450155

IUPAC3-pentyl-3,4,5,6-tetrahydropyridazine
SMILESCCCCCC1CCCN=N1
InChIInChI=1S/C9H18N2/c1-2-3-4-6-9-7-5-8-10-11-9/h9H,2-8H2,1H3
InChIKeyVKHFQXYZNVXMAT-UHFFFAOYSA-N
MW154.26 g/mol
LogP3.18
Rot. Bonds4

About 3-pentyl-3,4,5,6-tetrahydropyridazine

3-pentyl-3,4,5,6-tetrahydropyridazine (PubChem CID 70450155) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-pentyl-3,4,5,6-tetrahydropyridazine.

Molecular Properties

Compound Name3-pentyl-3,4,5,6-tetrahydropyridazine
PubChem CID70450155
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-pentyl-3,4,5,6-tetrahydropyridazine
SMILESCCCCCC1CCCN=N1
InChIInChI=1S/C9H18N2/c1-2-3-4-6-9-7-5-8-10-11-9/h9H,2-8H2,1H3
InChIKeyVKHFQXYZNVXMAT-UHFFFAOYSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-pentyl-3,4,5,6-tetrahydropyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexane;pentylcyclopropane
CID 159592467
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1,3-dipentylcyclohexane
CID 54105663
azane;hexylcyclopropane
CID 135322230
1,3-diheptylcyclohexane
CID 19973333
3,12-dioctyl-1,2-diazacyclododeca-1,5,9-triene
CID 56632915
3,12-di(undecyl)-1,2-diazacyclododeca-1,5,9-triene
CID 57073636
(2R,4aR)-2-hexyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54489022
1,2-diheptylcyclopentane
CID 102061720

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-3,4,5,6-tetrahydropyridazine?
The IUPAC name of 3-pentyl-3,4,5,6-tetrahydropyridazine (CID 70450155) is 3-pentyl-3,4,5,6-tetrahydropyridazine.
What is the SMILES notation for 3-pentyl-3,4,5,6-tetrahydropyridazine?
The canonical SMILES for 3-pentyl-3,4,5,6-tetrahydropyridazine is CCCCCC1CCCN=N1.
What is the InChIKey of 3-pentyl-3,4,5,6-tetrahydropyridazine?
The InChIKey is VKHFQXYZNVXMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-4-6-9-7-5-8-10-11-9/h9H,2-8H2,1H3.
What are the key properties of 3-pentyl-3,4,5,6-tetrahydropyridazine?
3-pentyl-3,4,5,6-tetrahydropyridazine has a molecular weight of 154.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-3,4,5,6-tetrahydropyridazine is sourced from PubChem (CID 70450155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).