7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride

C15H16ClN3 — CID 17838

IUPAC7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride
SMILESC[NH+](C)C1=Nc2ccccc2-c2ccccc2N1.[Cl-]
InChIInChI=1S/C15H15N3.ClH/c1-18(2)15-16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)17-15;/h3-10H,1-2H3,(H,16,17);1H
InChIKeyBRBPXNLQWGGSOP-UHFFFAOYSA-N
MW273.77 g/mol
LogP-1.08
Rot. Bonds

About 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride

7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride (PubChem CID 17838) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride.

Molecular Properties

Compound Name7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride
PubChem CID17838
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride
SMILESC[NH+](C)C1=Nc2ccccc2-c2ccccc2N1.[Cl-]
InChIInChI=1S/C15H15N3.ClH/c1-18(2)15-16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)17-15;/h3-10H,1-2H3,(H,16,17);1H
InChIKeyBRBPXNLQWGGSOP-UHFFFAOYSA-N
XLogP-1.08
TPSA28.83 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride?
The IUPAC name of 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride (CID 17838) is 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride.
What is the SMILES notation for 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride?
The canonical SMILES for 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride is C[NH+](C)C1=Nc2ccccc2-c2ccccc2N1.[Cl-].
What is the InChIKey of 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride?
The InChIKey is BRBPXNLQWGGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3.ClH/c1-18(2)15-16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)17-15;/h3-10H,1-2H3,(H,16,17);1H.
What are the key properties of 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride?
7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride has a molecular weight of 273.77 g/mol, XLogP of -1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[d][1,3]benzodiazepin-6-yl(dimethyl)azanium chloride is sourced from PubChem (CID 17838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).