7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine

C18H18N4 — CID 126521430

IUPAC7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine
SMILESCc1nnn2c1-c1ccccc1N(Cc1ccccc1)CC2
InChIInChI=1S/C18H18N4/c1-14-18-16-9-5-6-10-17(16)21(11-12-22(18)20-19-14)13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3
InChIKeyXKWOLCQKCURZAH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.27
Rot. Bonds2

About 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine

7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine (PubChem CID 126521430) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine.

Molecular Properties

Compound Name7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine
PubChem CID126521430
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine
SMILESCc1nnn2c1-c1ccccc1N(Cc1ccccc1)CC2
InChIInChI=1S/C18H18N4/c1-14-18-16-9-5-6-10-17(16)21(11-12-22(18)20-19-14)13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3
InChIKeyXKWOLCQKCURZAH-UHFFFAOYSA-N
XLogP3.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine?
The IUPAC name of 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine (CID 126521430) is 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine.
What is the SMILES notation for 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine?
The canonical SMILES for 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine is Cc1nnn2c1-c1ccccc1N(Cc1ccccc1)CC2.
What is the InChIKey of 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine?
The InChIKey is XKWOLCQKCURZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-18-16-9-5-6-10-17(16)21(11-12-22(18)20-19-14)13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3.
What are the key properties of 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine?
7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine has a molecular weight of 290.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-methyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine is sourced from PubChem (CID 126521430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).