(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene

C14H19N3 — CID 137458700

IUPAC(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
SMILESc1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCNC2
InChIInChI=1S/C14H19N3/c1-2-10-8-16-6-7-17-13-4-5-15-9-12(13)11(3-1)14(10)17/h1-3,12-13,15-16H,4-9H2/t12-,13-/m1/s1
InChIKeyPCAGRVCLPXFTJC-CHWSQXEVSA-N
MW229.33 g/mol
LogP1.06
Rot. Bonds

About (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene

(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene (PubChem CID 137458700) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene.

Molecular Properties

Compound Name(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
PubChem CID137458700
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
SMILESc1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCNC2
InChIInChI=1S/C14H19N3/c1-2-10-8-16-6-7-17-13-4-5-15-9-12(13)11(3-1)14(10)17/h1-3,12-13,15-16H,4-9H2/t12-,13-/m1/s1
InChIKeyPCAGRVCLPXFTJC-CHWSQXEVSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene with MolForge

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Related Compounds

(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 20576995
1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 22036799
(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene
CID 86593178
(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
CID 23652290
(2S,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055320
(10R,15S)-4-ethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302497
(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302498
1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol
CID 10263876
(11S,16S)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 21036483
(11R,16R)-7,10-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4-triene
CID 10083108
4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364424
3-(2,6-difluorophenyl)-7-thia-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 22744042

Frequently Asked Questions

What is the IUPAC name of (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene?
The IUPAC name of (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene (CID 137458700) is (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene.
What is the SMILES notation for (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene?
The canonical SMILES for (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene is c1cc2c3c(c1)[C@H]1CNCC[C@H]1N3CCNC2.
What is the InChIKey of (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene?
The InChIKey is PCAGRVCLPXFTJC-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-10-8-16-6-7-17-13-4-5-15-9-12(13)11(3-1)14(10)17/h1-3,12-13,15-16H,4-9H2/t12-,13-/m1/s1.
What are the key properties of (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene?
(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene has a molecular weight of 229.33 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene is sourced from PubChem (CID 137458700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).