3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole

C14H18N4O — CID 102659805

IUPAC3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole
SMILESCc1nnc(COC2(C)CNC2)n1-c1ccccc1
InChIInChI=1S/C14H18N4O/c1-11-16-17-13(8-19-14(2)9-15-10-14)18(11)12-6-4-3-5-7-12/h3-7,15H,8-10H2,1-2H3
InChIKeyYLGDNLBGUPMZOJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.45
Rot. Bonds4

About 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole

3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole (PubChem CID 102659805) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole
PubChem CID102659805
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole
SMILESCc1nnc(COC2(C)CNC2)n1-c1ccccc1
InChIInChI=1S/C14H18N4O/c1-11-16-17-13(8-19-14(2)9-15-10-14)18(11)12-6-4-3-5-7-12/h3-7,15H,8-10H2,1-2H3
InChIKeyYLGDNLBGUPMZOJ-UHFFFAOYSA-N
XLogP1.45
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-propyl-1,2,4-triazole
CID 102659800
1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 79851160
3-(chloromethyl)-5-methyl-4-phenyl-1,2,4-triazole
CID 79021080
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
CID 107385881
4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine
CID 63124270
2-[(3-methylazetidin-3-yl)oxymethyl]phenol
CID 115019383
3-methyl-3-(phenylmethoxymethoxy)azetidine
CID 106938741
2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160292
4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]aniline
CID 61360359
5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 82848778
2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 82013823
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 15575683

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole (CID 102659805) is 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole is Cc1nnc(COC2(C)CNC2)n1-c1ccccc1.
What is the InChIKey of 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole?
The InChIKey is YLGDNLBGUPMZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-16-17-13(8-19-14(2)9-15-10-14)18(11)12-6-4-3-5-7-12/h3-7,15H,8-10H2,1-2H3.
What are the key properties of 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole?
3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole has a molecular weight of 258.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 102659805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).