5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole

C17H17N3O — CID 918344

IUPAC5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole
SMILESCc1ccccc1OCc1nc(-c2ccccc2C)n[nH]1
InChIInChI=1S/C17H17N3O/c1-12-7-3-5-9-14(12)17-18-16(19-20-17)11-21-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3,(H,18,19,20)
InChIKeyYGLTVKCPYRSGBL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.67
Rot. Bonds4

About 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole

5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole (PubChem CID 918344) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole
PubChem CID918344
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole
SMILESCc1ccccc1OCc1nc(-c2ccccc2C)n[nH]1
InChIInChI=1S/C17H17N3O/c1-12-7-3-5-9-14(12)17-18-16(19-20-17)11-21-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3,(H,18,19,20)
InChIKeyYGLTVKCPYRSGBL-UHFFFAOYSA-N
XLogP3.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 605283
Diphenytriazol
CID 122000
5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 3239895
3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole
CID 61343280
(E)-3-fluoro-2-[[4-(5-propyl-1H-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512725
(Z)-3-fluoro-2-[[4-(5-propyl-1H-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369067
3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
CID 155818568
3-(3,4-dimethylbenzyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 10357057
2-(2-methylphenoxy)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 17408222
(2R)-2-phenoxy-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
CID 32461405
3-Cyclohexylmethyl-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole
CID 44379976
5-(3-Methoxy-phenyl)-3-naphthalen-2-ylmethyl-1H-[1,2,4]triazole
CID 44379977

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole (CID 918344) is 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole is Cc1ccccc1OCc1nc(-c2ccccc2C)n[nH]1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole?
The InChIKey is YGLTVKCPYRSGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-3-5-9-14(12)17-18-16(19-20-17)11-21-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3,(H,18,19,20).
What are the key properties of 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole?
5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole has a molecular weight of 279.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-3-(2-methylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 918344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).