1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one

C18H29N3O5 — CID 170223156

IUPAC1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one
SMILESC=C(C)OCCOCCOCCOCCNc1ccc(C(=O)CC)nn1
InChIInChI=1S/C18H29N3O5/c1-4-17(22)16-5-6-18(21-20-16)19-7-8-23-9-10-24-11-12-25-13-14-26-15(2)3/h5-6H,2,4,7-14H2,1,3H3,(H,19,21)
InChIKeyBWHSRZRKEDZAFP-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.08
Rot. Bonds16

About 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one

1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one (PubChem CID 170223156) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one
PubChem CID170223156
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Name1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one
SMILESC=C(C)OCCOCCOCCOCCNc1ccc(C(=O)CC)nn1
InChIInChI=1S/C18H29N3O5/c1-4-17(22)16-5-6-18(21-20-16)19-7-8-23-9-10-24-11-12-25-13-14-26-15(2)3/h5-6H,2,4,7-14H2,1,3H3,(H,19,21)
InChIKeyBWHSRZRKEDZAFP-UHFFFAOYSA-N
XLogP2.08
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-but-3-enoxyethylamino)pyridazine-3-carboxamide
CID 113338947
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one
CID 177358408
N-[6-(2-methoxyethylamino)pyridazin-3-yl]propanamide
CID 113039391
methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
CID 115586284
2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate
CID 83203413
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-(2-methoxyethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109113786
6-(2-acetamidoethylamino)pyridazine-3-carboxamide
CID 79769956
6-(2-ethylsulfinylethylamino)pyridazine-3-carboxamide
CID 115667657
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one
CID 169158844

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one?
The IUPAC name of 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one (CID 170223156) is 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one?
The canonical SMILES for 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one is C=C(C)OCCOCCOCCOCCNc1ccc(C(=O)CC)nn1.
What is the InChIKey of 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one?
The InChIKey is BWHSRZRKEDZAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-4-17(22)16-5-6-18(21-20-16)19-7-8-23-9-10-24-11-12-25-13-14-26-15(2)3/h5-6H,2,4,7-14H2,1,3H3,(H,19,21).
What are the key properties of 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one?
1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one has a molecular weight of 367.45 g/mol, XLogP of 2.08, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]propan-1-one is sourced from PubChem (CID 170223156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).