8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane

C19H26N4O3 — CID 71049138

IUPAC8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1nnc(Oc2cccc(N3CCC4(CC3)OCCO4)c2)n1CC
InChIInChI=1S/C19H26N4O3/c1-3-17-20-21-18(23(17)4-2)26-16-7-5-6-15(14-16)22-10-8-19(9-11-22)24-12-13-25-19/h5-7,14H,3-4,8-13H2,1-2H3
InChIKeySZQQBXKVMCQNFV-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.00
Rot. Bonds5

About 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71049138) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71049138
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1nnc(Oc2cccc(N3CCC4(CC3)OCCO4)c2)n1CC
InChIInChI=1S/C19H26N4O3/c1-3-17-20-21-18(23(17)4-2)26-16-7-5-6-15(14-16)22-10-8-19(9-11-22)24-12-13-25-19/h5-7,14H,3-4,8-13H2,1-2H3
InChIKeySZQQBXKVMCQNFV-UHFFFAOYSA-N
XLogP3.00
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone
CID 143519307
8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 121456120
N-[(1R)-1-[4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
CID 58499330
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
N-[(1R)-1-[5-[3-(4-acetylpiperazin-1-yl)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzenesulfinamide
CID 71049165
N-[(1R)-1-[4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-1,2,4-triazol-3-yl]ethyl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
CID 58500025
N-[(1R)-1-[4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzenesulfonamide
CID 58499800
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
3,4-dichlorobenzenesulfonamide;N-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]methanesulfonamide
CID 143519269
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108985960
(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 99715384
N-[(1R)-1-[4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-1,2,4-triazol-3-yl]ethyl]-2,5-dimethoxybenzenesulfonamide
CID 58499754

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 71049138) is 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane is CCc1nnc(Oc2cccc(N3CCC4(CC3)OCCO4)c2)n1CC.
What is the InChIKey of 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SZQQBXKVMCQNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-17-20-21-18(23(17)4-2)26-16-7-5-6-15(14-16)22-10-8-19(9-11-22)24-12-13-25-19/h5-7,14H,3-4,8-13H2,1-2H3.
What are the key properties of 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 358.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71049138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).