1-methyl-4-(naphthalen-1-yloxymethyl)triazole

C14H13N3O — CID 102499478

IUPAC1-methyl-4-(naphthalen-1-yloxymethyl)triazole
SMILESCn1cc(COc2cccc3ccccc23)nn1
InChIInChI=1S/C14H13N3O/c1-17-9-12(15-16-17)10-18-14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3
InChIKeyKWDGNGJNXJAJEI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.55
Rot. Bonds3

About 1-methyl-4-(naphthalen-1-yloxymethyl)triazole

1-methyl-4-(naphthalen-1-yloxymethyl)triazole (PubChem CID 102499478) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-methyl-4-(naphthalen-1-yloxymethyl)triazole.

Molecular Properties

Compound Name1-methyl-4-(naphthalen-1-yloxymethyl)triazole
PubChem CID102499478
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-methyl-4-(naphthalen-1-yloxymethyl)triazole
SMILESCn1cc(COc2cccc3ccccc23)nn1
InChIInChI=1S/C14H13N3O/c1-17-9-12(15-16-17)10-18-14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3
InChIKeyKWDGNGJNXJAJEI-UHFFFAOYSA-N
XLogP2.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107713246
1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole
CID 82087938
8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine
CID 107040861
[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine
CID 82304830
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine
CID 107040822
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
4-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-methyltriazole
CID 107044094
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
3-methyl-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 107040940

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(naphthalen-1-yloxymethyl)triazole?
The IUPAC name of 1-methyl-4-(naphthalen-1-yloxymethyl)triazole (CID 102499478) is 1-methyl-4-(naphthalen-1-yloxymethyl)triazole.
What is the SMILES notation for 1-methyl-4-(naphthalen-1-yloxymethyl)triazole?
The canonical SMILES for 1-methyl-4-(naphthalen-1-yloxymethyl)triazole is Cn1cc(COc2cccc3ccccc23)nn1.
What is the InChIKey of 1-methyl-4-(naphthalen-1-yloxymethyl)triazole?
The InChIKey is KWDGNGJNXJAJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-9-12(15-16-17)10-18-14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-4-(naphthalen-1-yloxymethyl)triazole?
1-methyl-4-(naphthalen-1-yloxymethyl)triazole has a molecular weight of 239.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(naphthalen-1-yloxymethyl)triazole is sourced from PubChem (CID 102499478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).