1-benzyl-4,5-bis(methoxymethyl)triazole

C13H17N3O2 — CID 132513416

IUPAC1-benzyl-4,5-bis(methoxymethyl)triazole
SMILESCOCc1nnn(Cc2ccccc2)c1COC
InChIInChI=1S/C13H17N3O2/c1-17-9-12-13(10-18-2)16(15-14-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyRUHFZSWBSNCWKQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.62
Rot. Bonds6

About 1-benzyl-4,5-bis(methoxymethyl)triazole

1-benzyl-4,5-bis(methoxymethyl)triazole (PubChem CID 132513416) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-benzyl-4,5-bis(methoxymethyl)triazole.

Molecular Properties

Compound Name1-benzyl-4,5-bis(methoxymethyl)triazole
PubChem CID132513416
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-benzyl-4,5-bis(methoxymethyl)triazole
SMILESCOCc1nnn(Cc2ccccc2)c1COC
InChIInChI=1S/C13H17N3O2/c1-17-9-12-13(10-18-2)16(15-14-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyRUHFZSWBSNCWKQ-UHFFFAOYSA-N
XLogP1.62
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-bis(methoxymethyl)triazole?
The IUPAC name of 1-benzyl-4,5-bis(methoxymethyl)triazole (CID 132513416) is 1-benzyl-4,5-bis(methoxymethyl)triazole.
What is the SMILES notation for 1-benzyl-4,5-bis(methoxymethyl)triazole?
The canonical SMILES for 1-benzyl-4,5-bis(methoxymethyl)triazole is COCc1nnn(Cc2ccccc2)c1COC.
What is the InChIKey of 1-benzyl-4,5-bis(methoxymethyl)triazole?
The InChIKey is RUHFZSWBSNCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-9-12-13(10-18-2)16(15-14-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-4,5-bis(methoxymethyl)triazole?
1-benzyl-4,5-bis(methoxymethyl)triazole has a molecular weight of 247.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-bis(methoxymethyl)triazole is sourced from PubChem (CID 132513416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).