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Mirtazapine

C17H19N3 — CID 4205

💊View drug profile → mirtazapine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESCN1CCN2c3ncccc3Cc3ccccc3C2C1
InChIInChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
InChIKeyRONZAEMNMFQXRA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.48
Rot. Bonds

About Mirtazapine

Mirtazapine (PubChem CID 4205) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.

Molecular Properties

Compound NameMirtazapine
PubChem CID4205
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESCN1CCN2c3ncccc3Cc3ccccc3C2C1
InChIInChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
InChIKeyRONZAEMNMFQXRA-UHFFFAOYSA-N
XLogP2.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
(-)-Mirtazapine
CID 3085219
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
Esmirtazapine Maleate
CID 6451144
Esmirtazapine
CID 3085218
8-Methyl-6-(4-methyl-1-piperazinyl)-11H-pyrido(2,3-b)(1,4)benzodiazepine
CID 3802
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
6-{methyl[(1R)-1-phenylethyl]amino}-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11738282
1-(Piperazin-1-yl)isoquinoline
CID 15887436
(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265616

Frequently Asked Questions

What is the IUPAC name of Mirtazapine?
The IUPAC name of Mirtazapine (CID 4205) is 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.
What is the SMILES notation for Mirtazapine?
The canonical SMILES for Mirtazapine is CN1CCN2c3ncccc3Cc3ccccc3C2C1.
What is the InChIKey of Mirtazapine?
The InChIKey is RONZAEMNMFQXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3.
What are the key properties of Mirtazapine?
Mirtazapine has a molecular weight of 265.36 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Mirtazapine is sourced from PubChem (CID 4205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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