5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole

C19H25N3O2 — CID 74251436

IUPAC5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole
SMILESCOCC1(c2nc(C3CCOCC3)nn2-c2ccccc2)CCC1
InChIInChI=1S/C19H25N3O2/c1-23-14-19(10-5-11-19)18-20-17(15-8-12-24-13-9-15)21-22(18)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3
InChIKeyBQOJQAVJRZFDOJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.23
Rot. Bonds5

About 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole

5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole (PubChem CID 74251436) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole
PubChem CID74251436
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole
SMILESCOCC1(c2nc(C3CCOCC3)nn2-c2ccccc2)CCC1
InChIInChI=1S/C19H25N3O2/c1-23-14-19(10-5-11-19)18-20-17(15-8-12-24-13-9-15)21-22(18)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3
InChIKeyBQOJQAVJRZFDOJ-UHFFFAOYSA-N
XLogP3.23
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole?
The IUPAC name of 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole (CID 74251436) is 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole?
The canonical SMILES for 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole is COCC1(c2nc(C3CCOCC3)nn2-c2ccccc2)CCC1.
What is the InChIKey of 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole?
The InChIKey is BQOJQAVJRZFDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-14-19(10-5-11-19)18-20-17(15-8-12-24-13-9-15)21-22(18)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3.
What are the key properties of 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole?
5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole has a molecular weight of 327.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methoxymethyl)cyclobutyl]-3-(oxan-4-yl)-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 74251436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).