(7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene

C16H21N3 — CID 53327265

IUPAC(7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
SMILESCCCN1CCN2c3cccc4[nH]cc(c34)C[C@H]2C1
InChIInChI=1S/C16H21N3/c1-2-6-18-7-8-19-13(11-18)9-12-10-17-14-4-3-5-15(19)16(12)14/h3-5,10,13,17H,2,6-9,11H2,1H3/t13-/m0/s1
InChIKeyWDTMSPNCLRUYLZ-ZDUSSCGKSA-N
MW255.37 g/mol
LogP2.62
Rot. Bonds2

About (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene

(7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene (PubChem CID 53327265) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene.

Molecular Properties

Compound Name(7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
PubChem CID53327265
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name(7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
SMILESCCCN1CCN2c3cccc4[nH]cc(c34)C[C@H]2C1
InChIInChI=1S/C16H21N3/c1-2-6-18-7-8-19-13(11-18)9-12-10-17-14-4-3-5-15(19)16(12)14/h3-5,10,13,17H,2,6-9,11H2,1H3/t13-/m0/s1
InChIKeyWDTMSPNCLRUYLZ-ZDUSSCGKSA-N
XLogP2.62
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene?
The IUPAC name of (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene (CID 53327265) is (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene.
What is the SMILES notation for (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene?
The canonical SMILES for (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene is CCCN1CCN2c3cccc4[nH]cc(c34)C[C@H]2C1.
What is the InChIKey of (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene?
The InChIKey is WDTMSPNCLRUYLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-6-18-7-8-19-13(11-18)9-12-10-17-14-4-3-5-15(19)16(12)14/h3-5,10,13,17H,2,6-9,11H2,1H3/t13-/m0/s1.
What are the key properties of (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene?
(7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene has a molecular weight of 255.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-propyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene is sourced from PubChem (CID 53327265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).