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

C17H16N4 — CID 126564471

IUPAC1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine
SMILESCc1nnn2c1-c1ccccc1N(c1ccccc1)CC2
InChIInChI=1S/C17H16N4/c1-13-17-15-9-5-6-10-16(15)20(11-12-21(17)19-18-13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyFKTRRXZUNCKQOU-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.41
Rot. Bonds1

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

1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine (PubChem CID 126564471) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine.

Molecular Properties

Compound Name1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine
PubChem CID126564471
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine
SMILESCc1nnn2c1-c1ccccc1N(c1ccccc1)CC2
InChIInChI=1S/C17H16N4/c1-13-17-15-9-5-6-10-16(15)20(11-12-21(17)19-18-13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyFKTRRXZUNCKQOU-UHFFFAOYSA-N
XLogP3.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine?
The IUPAC name of 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine (CID 126564471) is 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine.
What is the SMILES notation for 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine?
The canonical SMILES for 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine is Cc1nnn2c1-c1ccccc1N(c1ccccc1)CC2.
What is the InChIKey of 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine?
The InChIKey is FKTRRXZUNCKQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-13-17-15-9-5-6-10-16(15)20(11-12-21(17)19-18-13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine?
1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine has a molecular weight of 276.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-phenyl-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine is sourced from PubChem (CID 126564471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).