1-methyl-2,5-diphenyl-1,3,4-benzotriazepine

C21H17N3 — CID 7289666

IUPAC1-methyl-2,5-diphenyl-1,3,4-benzotriazepine
SMILESCN1C(c2ccccc2)=NN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H17N3/c1-24-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)22-23-21(24)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyOLMORFIBMHAOFE-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.34
Rot. Bonds2

About 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine

1-methyl-2,5-diphenyl-1,3,4-benzotriazepine (PubChem CID 7289666) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine.

Molecular Properties

Compound Name1-methyl-2,5-diphenyl-1,3,4-benzotriazepine
PubChem CID7289666
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name1-methyl-2,5-diphenyl-1,3,4-benzotriazepine
SMILESCN1C(c2ccccc2)=NN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H17N3/c1-24-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)22-23-21(24)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyOLMORFIBMHAOFE-UHFFFAOYSA-N
XLogP4.34
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2,5-diphenylpyrido[3,2-e][1,2,4]triazepine
CID 71375396
2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1,3,4-benzotriazepine
CID 3497115
3-(bromoamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 89225778
3-[(4-fluorophenyl)methyl]-1-methyl-5-phenyl-1,3,4-benzotriazepin-2-one
CID 15678608
N-(1,2-dimethyl-5-phenyl-1,4-benzodiazepin-3-yl)methanesulfonamide
CID 101027823
3-azido-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 45358547
1-chloro-3-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine
CID 154176145
1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine
CID 154085559
1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(2-phenylphenyl)urea
CID 59714426
N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 10499323
(3S)-3-(tert-butylsulfanylmethyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 101375787
1-methyl-2-methylidene-4-phenylquinoline
CID 14963015

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine?
The IUPAC name of 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine (CID 7289666) is 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine.
What is the SMILES notation for 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine?
The canonical SMILES for 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine is CN1C(c2ccccc2)=NN=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine?
The InChIKey is OLMORFIBMHAOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-24-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)22-23-21(24)17-12-6-3-7-13-17/h2-15H,1H3.
What are the key properties of 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine?
1-methyl-2,5-diphenyl-1,3,4-benzotriazepine has a molecular weight of 311.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-diphenyl-1,3,4-benzotriazepine is sourced from PubChem (CID 7289666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).