5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole

C19H21N3O — CID 67950604

IUPAC5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole
SMILESCCCCc1ccc(-c2ncnn2-c2cccc(OC)c2)cc1
InChIInChI=1S/C19H21N3O/c1-3-4-6-15-9-11-16(12-10-15)19-20-14-21-22(19)17-7-5-8-18(13-17)23-2/h5,7-14H,3-4,6H2,1-2H3
InChIKeyJNLJWAIZTFEHOT-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.29
Rot. Bonds6

About 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole

5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole (PubChem CID 67950604) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole
PubChem CID67950604
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole
SMILESCCCCc1ccc(-c2ncnn2-c2cccc(OC)c2)cc1
InChIInChI=1S/C19H21N3O/c1-3-4-6-15-9-11-16(12-10-15)19-20-14-21-22(19)17-7-5-8-18(13-17)23-2/h5,7-14H,3-4,6H2,1-2H3
InChIKeyJNLJWAIZTFEHOT-UHFFFAOYSA-N
XLogP4.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole
CID 67950589
3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155551978
1-methoxy-3-nonadecylbenzene
CID 154507578
4-[2-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazol-3-yl]benzonitrile
CID 142800173
1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole
CID 31196241
3-[5-[4-(dimethylamino)phenyl]-1,2,4-triazol-1-yl]phenol
CID 23966601
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 22661044
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
(4-butylphenyl)-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone
CID 3924170
3-butyl-4-(3-methoxyphenyl)-1H-1,2,4-triazol-5-one
CID 50956867
9-[3-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-(3-heptoxyphenyl)-6-(3-methoxyphenyl)carbazole
CID 59412031

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole (CID 67950604) is 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole is CCCCc1ccc(-c2ncnn2-c2cccc(OC)c2)cc1.
What is the InChIKey of 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole?
The InChIKey is JNLJWAIZTFEHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-4-6-15-9-11-16(12-10-15)19-20-14-21-22(19)17-7-5-8-18(13-17)23-2/h5,7-14H,3-4,6H2,1-2H3.
What are the key properties of 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole?
5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole has a molecular weight of 307.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 67950604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).