5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole

C10H11N3O — CID 46398006

IUPAC5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole
SMILESCOCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H11N3O/c1-14-7-9-11-10(13-12-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyCNKNRFHXWVNURQ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.62
Rot. Bonds3

About 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole

5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 46398006) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole
PubChem CID46398006
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole
SMILESCOCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H11N3O/c1-14-7-9-11-10(13-12-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyCNKNRFHXWVNURQ-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole (CID 46398006) is 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole is COCc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is CNKNRFHXWVNURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-7-9-11-10(13-12-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12,13).
What are the key properties of 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole?
5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 46398006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).