7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole

C18H16N4O — CID 66678255

IUPAC7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole
SMILESCOc1ccc(-c2cnnn2-c2cccc3ccn(C)c23)cc1
InChIInChI=1S/C18H16N4O/c1-21-11-10-14-4-3-5-16(18(14)21)22-17(12-19-20-22)13-6-8-15(23-2)9-7-13/h3-12H,1-2H3
InChIKeyACOSCHOKNCGHKX-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.43
Rot. Bonds3

About 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole

7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole (PubChem CID 66678255) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole.

Molecular Properties

Compound Name7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole
PubChem CID66678255
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole
SMILESCOc1ccc(-c2cnnn2-c2cccc3ccn(C)c23)cc1
InChIInChI=1S/C18H16N4O/c1-21-11-10-14-4-3-5-16(18(14)21)22-17(12-19-20-22)13-6-8-15(23-2)9-7-13/h3-12H,1-2H3
InChIKeyACOSCHOKNCGHKX-UHFFFAOYSA-N
XLogP3.43
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol
CID 102035292
5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole
CID 59430393
1-(2-iodophenyl)-5-(4-methylphenyl)triazole
CID 146163953
4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
1-(4-phenoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
CID 25067758
5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
CID 90447108
3-[3-(4-methoxyphenyl)triazol-4-yl]-5-propan-2-yl-4H-imidazo[1,5-a]quinoxaline
CID 57053446
N,N-dimethyl-4-[3-(2,4,5-trimethoxyphenyl)triazol-4-yl]aniline
CID 59430271
5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
CID 86298056
1,5-bis(4-methoxyphenyl)pyrazole
CID 57058186
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
7-(3,5-dimethoxyphenyl)-1-methyl-6-oxidopyrrolo[2,3-c]pyridin-6-ium
CID 101462284

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole?
The IUPAC name of 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole (CID 66678255) is 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole.
What is the SMILES notation for 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole?
The canonical SMILES for 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole is COc1ccc(-c2cnnn2-c2cccc3ccn(C)c23)cc1.
What is the InChIKey of 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole?
The InChIKey is ACOSCHOKNCGHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-21-11-10-14-4-3-5-16(18(14)21)22-17(12-19-20-22)13-6-8-15(23-2)9-7-13/h3-12H,1-2H3.
What are the key properties of 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole?
7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole has a molecular weight of 304.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-methoxyphenyl)triazol-1-yl]-1-methylindole is sourced from PubChem (CID 66678255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).