4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole

C16H17N3O2 — CID 146135465

IUPAC4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole
SMILESCOCc1cccc(-c2cn(Cc3ccc(C)o3)nn2)c1
InChIInChI=1S/C16H17N3O2/c1-12-6-7-15(21-12)9-19-10-16(17-18-19)14-5-3-4-13(8-14)11-20-2/h3-8,10H,9,11H2,1-2H3
InChIKeySYDWCDGZBRZIHH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds5

About 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole

4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole (PubChem CID 146135465) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole
PubChem CID146135465
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole
SMILESCOCc1cccc(-c2cn(Cc3ccc(C)o3)nn2)c1
InChIInChI=1S/C16H17N3O2/c1-12-6-7-15(21-12)9-19-10-16(17-18-19)14-5-3-4-13(8-14)11-20-2/h3-8,10H,9,11H2,1-2H3
InChIKeySYDWCDGZBRZIHH-UHFFFAOYSA-N
XLogP3.04
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole?
The IUPAC name of 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole (CID 146135465) is 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole.
What is the SMILES notation for 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole?
The canonical SMILES for 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole is COCc1cccc(-c2cn(Cc3ccc(C)o3)nn2)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole?
The InChIKey is SYDWCDGZBRZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-6-7-15(21-12)9-19-10-16(17-18-19)14-5-3-4-13(8-14)11-20-2/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole?
4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole has a molecular weight of 283.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenyl]-1-[(5-methylfuran-2-yl)methyl]triazole is sourced from PubChem (CID 146135465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).