2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine

C19H27N5O3 — CID 11372218

IUPAC2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine
SMILESCOc1ccc(-c2ccc(=O)n(CCCCCCN=C(N)N)n2)cc1OC
InChIInChI=1S/C19H27N5O3/c1-26-16-9-7-14(13-17(16)27-2)15-8-10-18(25)24(23-15)12-6-4-3-5-11-22-19(20)21/h7-10,13H,3-6,11-12H2,1-2H3,(H4,20,21,22)
InChIKeyUFKORLZWSOQBQO-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.76
Rot. Bonds10

About 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine

2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine (PubChem CID 11372218) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine.

Molecular Properties

Compound Name2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine
PubChem CID11372218
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine
SMILESCOc1ccc(-c2ccc(=O)n(CCCCCCN=C(N)N)n2)cc1OC
InChIInChI=1S/C19H27N5O3/c1-26-16-9-7-14(13-17(16)27-2)15-8-10-18(25)24(23-15)12-6-4-3-5-11-22-19(20)21/h7-10,13H,3-6,11-12H2,1-2H3,(H4,20,21,22)
InChIKeyUFKORLZWSOQBQO-UHFFFAOYSA-N
XLogP1.76
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine?
The IUPAC name of 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine (CID 11372218) is 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine.
What is the SMILES notation for 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine?
The canonical SMILES for 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine is COc1ccc(-c2ccc(=O)n(CCCCCCN=C(N)N)n2)cc1OC.
What is the InChIKey of 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine?
The InChIKey is UFKORLZWSOQBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-26-16-9-7-14(13-17(16)27-2)15-8-10-18(25)24(23-15)12-6-4-3-5-11-22-19(20)21/h7-10,13H,3-6,11-12H2,1-2H3,(H4,20,21,22).
What are the key properties of 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine?
2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine has a molecular weight of 373.46 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]hexyl]guanidine is sourced from PubChem (CID 11372218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).