1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole

C24H20ClN3O — CID 169409619

IUPAC1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole
SMILESClc1ccccc1-n1cc(COC2c3ccccc3CCc3ccccc32)nn1
InChIInChI=1S/C24H20ClN3O/c25-22-11-5-6-12-23(22)28-15-19(26-27-28)16-29-24-20-9-3-1-7-17(20)13-14-18-8-2-4-10-21(18)24/h1-12,15,24H,13-14,16H2
InChIKeyHSGFICDTVFAISM-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.33
Rot. Bonds4

About 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole

1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole (PubChem CID 169409619) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole
PubChem CID169409619
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole
SMILESClc1ccccc1-n1cc(COC2c3ccccc3CCc3ccccc32)nn1
InChIInChI=1S/C24H20ClN3O/c25-22-11-5-6-12-23(22)28-15-19(26-27-28)16-29-24-20-9-3-1-7-17(20)13-14-18-8-2-4-10-21(18)24/h1-12,15,24H,13-14,16H2
InChIKeyHSGFICDTVFAISM-UHFFFAOYSA-N
XLogP5.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 117167437
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4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole
CID 141447831
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
CID 3065713
5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine
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[1-(2-chlorophenyl)triazol-4-yl]methyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
CID 166230021
N-[[1-(2-chlorophenyl)triazol-4-yl]methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166360978
2-[[1-(2-methylphenyl)triazol-4-yl]methoxy]pyrimidin-5-ol
CID 163509573
2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
CID 83895348
6-[4-[[1-(2-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]phenanthridine
CID 72725052
2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine
CID 130309875
2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
CID 103481334

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole?
The IUPAC name of 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole (CID 169409619) is 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole?
The canonical SMILES for 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole is Clc1ccccc1-n1cc(COC2c3ccccc3CCc3ccccc32)nn1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole?
The InChIKey is HSGFICDTVFAISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c25-22-11-5-6-12-23(22)28-15-19(26-27-28)16-29-24-20-9-3-1-7-17(20)13-14-18-8-2-4-10-21(18)24/h1-12,15,24H,13-14,16H2.
What are the key properties of 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole?
1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole has a molecular weight of 401.90 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole is sourced from PubChem (CID 169409619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).