4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole

C19H20ClN3O — CID 135003778

IUPAC4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole
SMILESCCCCc1nnn(-c2ccc(Cl)cc2)c1-c1ccccc1OC
InChIInChI=1S/C19H20ClN3O/c1-3-4-8-17-19(16-7-5-6-9-18(16)24-2)23(22-21-17)15-12-10-14(20)11-13-15/h5-7,9-13H,3-4,8H2,1-2H3
InChIKeyGXFPMILCOJPLKC-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.94
Rot. Bonds6

About 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole

4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole (PubChem CID 135003778) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole.

Molecular Properties

Compound Name4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole
PubChem CID135003778
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole
SMILESCCCCc1nnn(-c2ccc(Cl)cc2)c1-c1ccccc1OC
InChIInChI=1S/C19H20ClN3O/c1-3-4-8-17-19(16-7-5-6-9-18(16)24-2)23(22-21-17)15-12-10-14(20)11-13-15/h5-7,9-13H,3-4,8H2,1-2H3
InChIKeyGXFPMILCOJPLKC-UHFFFAOYSA-N
XLogP4.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 94940134
5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
CID 58856381
3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 30032770
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 50985924
ditert-butyl-[5-(2-methoxyphenyl)-1-phenyltriazol-4-yl]phosphane
CID 58856361
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122
1-(4-fluorophenyl)-5-(2-methoxyphenyl)triazole-4-carbaldehyde
CID 82196784
[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82207271
4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194910
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole?
The IUPAC name of 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole (CID 135003778) is 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole.
What is the SMILES notation for 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole?
The canonical SMILES for 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole is CCCCc1nnn(-c2ccc(Cl)cc2)c1-c1ccccc1OC.
What is the InChIKey of 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole?
The InChIKey is GXFPMILCOJPLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-4-8-17-19(16-7-5-6-9-18(16)24-2)23(22-21-17)15-12-10-14(20)11-13-15/h5-7,9-13H,3-4,8H2,1-2H3.
What are the key properties of 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole?
4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole has a molecular weight of 341.84 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole is sourced from PubChem (CID 135003778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).