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

C19H21N3O — CID 67950589

IUPAC1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole
SMILESCCCCc1ccc(-n2ncnc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C19H21N3O/c1-3-4-6-15-9-11-17(12-10-15)22-19(20-14-21-22)16-7-5-8-18(13-16)23-2/h5,7-14H,3-4,6H2,1-2H3
InChIKeyZRZFNTGZGVFITK-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.29
Rot. Bonds6

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

1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole (PubChem CID 67950589) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole
PubChem CID67950589
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole
SMILESCCCCc1ccc(-n2ncnc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C19H21N3O/c1-3-4-6-15-9-11-17(12-10-15)22-19(20-14-21-22)16-7-5-8-18(13-16)23-2/h5,7-14H,3-4,6H2,1-2H3
InChIKeyZRZFNTGZGVFITK-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

5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole
CID 67950604
3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155551978
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
1-methoxy-3-nonadecylbenzene
CID 154507578
methyl 4-[5-(3-bromophenyl)-1,2,4-triazol-1-yl]benzoate
CID 1364759
[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol
CID 58380155
1-bromo-2-(3-methoxyphenyl)imidazole
CID 175313145
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole
CID 70981613
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole (CID 67950589) is 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole is CCCCc1ccc(-n2ncnc2-c2cccc(OC)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole?
The InChIKey is ZRZFNTGZGVFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-4-6-15-9-11-17(12-10-15)22-19(20-14-21-22)16-7-5-8-18(13-16)23-2/h5,7-14H,3-4,6H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole?
1-(4-butylphenyl)-5-(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 1-(4-butylphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 67950589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).