[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone

C26H34N6O3 — CID 123965555

IUPAC[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone
SMILESCCCCc1nnc(C(=O)N2CCOC(CN=[N+]=[N-])C2)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C26H34N6O3/c1-2-3-9-24-23(19-10-12-21(13-11-19)35-20-7-5-4-6-8-20)16-25(30-29-24)26(33)32-14-15-34-22(18-32)17-28-31-27/h10-13,16,20,22H,2-9,14-15,17-18H2,1H3
InChIKeyBSHZGRNYDOPXRJ-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.35
Rot. Bonds9

About [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone

[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone (PubChem CID 123965555) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone
PubChem CID123965555
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone
SMILESCCCCc1nnc(C(=O)N2CCOC(CN=[N+]=[N-])C2)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C26H34N6O3/c1-2-3-9-24-23(19-10-12-21(13-11-19)35-20-7-5-4-6-8-20)16-25(30-29-24)26(33)32-14-15-34-22(18-32)17-28-31-27/h10-13,16,20,22H,2-9,14-15,17-18H2,1H3
InChIKeyBSHZGRNYDOPXRJ-UHFFFAOYSA-N
XLogP5.35
TPSA113.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone with MolForge

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Related Compounds

6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide
CID 58438360
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-hydroxy-1-methylpiperidin-3-yl)methyl]pyridazine-3-carboxamide
CID 58438430
6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride
CID 67372759
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide
CID 53372199
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride
CID 67373246
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride
CID 67374483
4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-1-methylpiperidin-3-ol;dihydrochloride
CID 67374764
ethyl 3-[4-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxypiperidin-1-yl]propanoate;dihydrochloride
CID 67373658
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
CID 58438425
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
CID 67374134
tert-butyl (3S,4R)-4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 86657787
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]pyridazine
CID 58438368

Frequently Asked Questions

What is the IUPAC name of [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone?
The IUPAC name of [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone (CID 123965555) is [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone.
What is the SMILES notation for [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone?
The canonical SMILES for [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone is CCCCc1nnc(C(=O)N2CCOC(CN=[N+]=[N-])C2)cc1-c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone?
The InChIKey is BSHZGRNYDOPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-2-3-9-24-23(19-10-12-21(13-11-19)35-20-7-5-4-6-8-20)16-25(30-29-24)26(33)32-14-15-34-22(18-32)17-28-31-27/h10-13,16,20,22H,2-9,14-15,17-18H2,1H3.
What are the key properties of [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone?
[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone has a molecular weight of 478.60 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone is sourced from PubChem (CID 123965555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).