8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

C25H24N4O2 — CID 51360928

IUPAC8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCOc1ccc(CN2Cc3cc(-c4ccc(OC)cc4)ccc3-n3nncc3C2)cc1
InChIInChI=1S/C25H24N4O2/c1-30-23-8-3-18(4-9-23)15-28-16-21-13-20(19-5-10-24(31-2)11-6-19)7-12-25(21)29-22(17-28)14-26-27-29/h3-14H,15-17H2,1-2H3
InChIKeyFZUADVSKGLOYDK-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.47
Rot. Bonds5

About 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (PubChem CID 51360928) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
PubChem CID51360928
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCOc1ccc(CN2Cc3cc(-c4ccc(OC)cc4)ccc3-n3nncc3C2)cc1
InChIInChI=1S/C25H24N4O2/c1-30-23-8-3-18(4-9-23)15-28-16-21-13-20(19-5-10-24(31-2)11-6-19)7-12-25(21)29-22(17-28)14-26-27-29/h3-14H,15-17H2,1-2H3
InChIKeyFZUADVSKGLOYDK-UHFFFAOYSA-N
XLogP4.47
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-[5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-6-yl]acetate
CID 44825495
8-(benzo[d][1,3]dioxol-5-yl)-5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine
CID 51360909
8-(4-methoxyphenyl)-N-phenethyl-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine-5(6H)-carbothioamide
CID 51360947
N,N-diethyl-2-[5-[4-(4-methoxyphenyl)phenyl]-1-(4-pentylphenyl)triazol-4-yl]ethanamine
CID 155566846
9-(4-Methoxyphenyl)-2,3,4,8-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
CID 44825487
5-[(4-Methoxyphenyl)methyl]-6-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
CID 44825490
5-[(4-Methoxyphenyl)methyl]-6-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
CID 44825493
5-[(4-Methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-6-carbonitrile
CID 44825857
8-(4-methoxyphenyl)-5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine
CID 51360881
1-(8-(4-methoxyphenyl)-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepin-5(6H)-yl)-2,2-dimethylpropan-1-one
CID 51360912
1-(8-(4-methoxyphenyl)-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepin-5(6H)-yl)-3-phenylpropan-1-one
CID 51360919
8-(3-fluorophenyl)-5-(4-methoxybenzyl)-5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine
CID 51360929

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (CID 51360928) is 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is COc1ccc(CN2Cc3cc(-c4ccc(OC)cc4)ccc3-n3nncc3C2)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is FZUADVSKGLOYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-30-23-8-3-18(4-9-23)15-28-16-21-13-20(19-5-10-24(31-2)11-6-19)7-12-25(21)29-22(17-28)14-26-27-29/h3-14H,15-17H2,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 412.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 51360928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).