(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

C13H19N3 — CID 124674655

IUPAC(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESCC[C@@H]1NCCN2CCNc3cccc1c32
InChIInChI=1S/C13H19N3/c1-2-11-10-4-3-5-12-13(10)16(8-6-14-11)9-7-15-12/h3-5,11,14-15H,2,6-9H2,1H3/t11-/m0/s1
InChIKeyHNLIMMSHVOFTQG-NSHDSACASA-N
MW217.32 g/mol
LogP1.97
Rot. Bonds1

About (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (PubChem CID 124674655) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.

Molecular Properties

Compound Name(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
PubChem CID124674655
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESCC[C@@H]1NCCN2CCNc3cccc1c32
InChIInChI=1S/C13H19N3/c1-2-11-10-4-3-5-12-13(10)16(8-6-14-11)9-7-15-12/h3-5,11,14-15H,2,6-9H2,1H3/t11-/m0/s1
InChIKeyHNLIMMSHVOFTQG-NSHDSACASA-N
XLogP1.97
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene with MolForge

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Related Compounds

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4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
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1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 22036799
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
1-[(2,6-dichlorophenyl)methyl]-3-ethylpiperazin-2-one
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2-ethyl-1,2-dihydrobenzo[cd]indole
CID 162781792
4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84678817

Frequently Asked Questions

What is the IUPAC name of (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The IUPAC name of (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (CID 124674655) is (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.
What is the SMILES notation for (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The canonical SMILES for (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is CC[C@@H]1NCCN2CCNc3cccc1c32.
What is the InChIKey of (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The InChIKey is HNLIMMSHVOFTQG-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3/c1-2-11-10-4-3-5-12-13(10)16(8-6-14-11)9-7-15-12/h3-5,11,14-15H,2,6-9H2,1H3/t11-/m0/s1.
What are the key properties of (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene has a molecular weight of 217.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is sourced from PubChem (CID 124674655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).