4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole

C19H20ClN3 — CID 24955218

IUPAC4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole
SMILESCCCCCn1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN3/c1-2-3-7-14-23-21-18(15-8-5-4-6-9-15)19(22-23)16-10-12-17(20)13-11-16/h4-6,8-13H,2-3,7,14H2,1H3
InChIKeyGRSFWYXUWIPQAT-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.46
Rot. Bonds6

About 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole

4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole (PubChem CID 24955218) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole
PubChem CID24955218
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole
SMILESCCCCCn1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN3/c1-2-3-7-14-23-21-18(15-8-5-4-6-9-15)19(22-23)16-10-12-17(20)13-11-16/h4-6,8-13H,2-3,7,14H2,1H3
InChIKeyGRSFWYXUWIPQAT-UHFFFAOYSA-N
XLogP5.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Benzyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazole
CID 76308186
2-[4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]ethanol
CID 76308187
2-[4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]acetonitrile
CID 76311822
4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-2-(2-fluoroethyl)triazole
CID 76315382
2-(2-Chloroethyl)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazole
CID 76319048
Methyl 2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]acetate
CID 76329890
3-(4-Chlorophenyl)-4-phenyl-1,2,5-thiadiazole
CID 11086920
2-Methyl-4,5-diphenyltriazole
CID 12207436
1-Benzyl-5-(4-chlorophenyl)-4-phenyltriazole
CID 24864409
Methyl 3-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]propanoate
CID 76308185
4-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole
CID 99803496
2-[Bis(4-chlorophenyl)methyl]benzotriazole
CID 4518443

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole?
The IUPAC name of 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole (CID 24955218) is 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole is CCCCCn1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole?
The InChIKey is GRSFWYXUWIPQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-2-3-7-14-23-21-18(15-8-5-4-6-9-15)19(22-23)16-10-12-17(20)13-11-16/h4-6,8-13H,2-3,7,14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole?
4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole has a molecular weight of 325.84 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-pentyl-5-phenyltriazole is sourced from PubChem (CID 24955218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).