(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene

C14H17N3 — CID 102084649

IUPAC(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
SMILESc1ccc2c3c([nH]c2c1)CN1CCNC[C@@H]1C3
InChIInChI=1S/C14H17N3/c1-2-4-13-11(3-1)12-7-10-8-15-5-6-17(10)9-14(12)16-13/h1-4,10,15-16H,5-9H2/t10-/m0/s1
InChIKeyFLWHGQJRIYDGPK-JTQLQIEISA-N
MW227.31 g/mol
LogP1.50
Rot. Bonds

About (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene

(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene (PubChem CID 102084649) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene.

Molecular Properties

Compound Name(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
PubChem CID102084649
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
SMILESc1ccc2c3c([nH]c2c1)CN1CCNC[C@@H]1C3
InChIInChI=1S/C14H17N3/c1-2-4-13-11(3-1)12-7-10-8-15-5-6-17(10)9-14(12)16-13/h1-4,10,15-16H,5-9H2/t10-/m0/s1
InChIKeyFLWHGQJRIYDGPK-JTQLQIEISA-N
XLogP1.50
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene with MolForge

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

Launch Full Analysis

Related Compounds

(8S)-6-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
CID 129386314
(9S)-7-benzyl-3,7,18-triazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),12,14,16-tetraene
CID 73057583
(2S,3aR)-2,3,3a,4,9,10-hexahydro-1H-indolizino[6,7-b]indole-2-carboxylic acid
CID 97297670
1-phenyl-2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethanol
CID 3038961
(3R)-2-cyclobutyl-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 154987704
18,19-dimethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaene
CID 134146205
ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane
CID 91258224
10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
CID 22500646
6-[2-[(4-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
CID 24844161
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine
CID 10292753
(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 168939672

Frequently Asked Questions

What is the IUPAC name of (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene?
The IUPAC name of (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene (CID 102084649) is (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene.
What is the SMILES notation for (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene?
The canonical SMILES for (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene is c1ccc2c3c([nH]c2c1)CN1CCNC[C@@H]1C3.
What is the InChIKey of (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene?
The InChIKey is FLWHGQJRIYDGPK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-13-11(3-1)12-7-10-8-15-5-6-17(10)9-14(12)16-13/h1-4,10,15-16H,5-9H2/t10-/m0/s1.
What are the key properties of (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene?
(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene has a molecular weight of 227.31 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene is sourced from PubChem (CID 102084649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).