3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

C19H27N5O — CID 91767851

IUPAC3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCc1cccc(OC2CN(Cc3nnc(C4CC(N)C4)n3C)C2)c1
InChIInChI=1S/C19H27N5O/c1-3-13-5-4-6-16(7-13)25-17-10-24(11-17)12-18-21-22-19(23(18)2)14-8-15(20)9-14/h4-7,14-15,17H,3,8-12,20H2,1-2H3
InChIKeyILDVWEVLQZPFQQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.85
Rot. Bonds6

About 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91767851) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91767851
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCc1cccc(OC2CN(Cc3nnc(C4CC(N)C4)n3C)C2)c1
InChIInChI=1S/C19H27N5O/c1-3-13-5-4-6-16(7-13)25-17-10-24(11-17)12-18-21-22-19(23(18)2)14-8-15(20)9-14/h4-7,14-15,17H,3,8-12,20H2,1-2H3
InChIKeyILDVWEVLQZPFQQ-UHFFFAOYSA-N
XLogP1.85
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Related Compounds

3-[4-methyl-5-[(3-phenoxyphenoxy)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91787662
3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91782942
4-[[2-[3-(3-ethylphenoxy)azetidin-1-yl]acetyl]amino]benzamide
CID 91830017
(3-ethylphenoxy)cyclooctane
CID 91220327
1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 91761605
1-(3-bromocyclobutyl)oxy-3-ethylbenzene
CID 66345315
4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine
CID 71013069
3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91773371
(3S,4R)-4-benzyl-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-ol
CID 138026490
4-[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 138484982
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
3-[5-[[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91762924

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91767851) is 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCc1cccc(OC2CN(Cc3nnc(C4CC(N)C4)n3C)C2)c1.
What is the InChIKey of 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is ILDVWEVLQZPFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-13-5-4-6-16(7-13)25-17-10-24(11-17)12-18-21-22-19(23(18)2)14-8-15(20)9-14/h4-7,14-15,17H,3,8-12,20H2,1-2H3.
What are the key properties of 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 341.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91767851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).