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

C14H21N3 — CID 124674668

IUPAC(10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESCCC[C@@H]1NCCN2CCNc3cccc1c32
InChIInChI=1S/C14H21N3/c1-2-4-12-11-5-3-6-13-14(11)17(9-7-15-12)10-8-16-13/h3,5-6,12,15-16H,2,4,7-10H2,1H3/t12-/m0/s1
InChIKeyPEHPQLMKTRVFLZ-LBPRGKRZSA-N
MW231.34 g/mol
LogP2.36
Rot. Bonds2

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

(10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (PubChem CID 124674668) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.

Molecular Properties

Compound Name(10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
PubChem CID124674668
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESCCC[C@@H]1NCCN2CCNc3cccc1c32
InChIInChI=1S/C14H21N3/c1-2-4-12-11-5-3-6-13-14(11)17(9-7-15-12)10-8-16-13/h3,5-6,12,15-16H,2,4,7-10H2,1H3/t12-/m0/s1
InChIKeyPEHPQLMKTRVFLZ-LBPRGKRZSA-N
XLogP2.36
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124674655
4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 55068561
4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 84739665
5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline
CID 115094968
4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 83055722
4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64689178
3-(3-fluorophenyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792595
4-propyl-3,4-dihydro-1H-quinazoline-2-thione
CID 130014956
1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 150484308
1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 22036799
7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 62373433
3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64924394

Frequently Asked Questions

What is the IUPAC name of (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The IUPAC name of (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (CID 124674668) is (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.
What is the SMILES notation for (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The canonical SMILES for (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is CCC[C@@H]1NCCN2CCNc3cccc1c32.
What is the InChIKey of (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The InChIKey is PEHPQLMKTRVFLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-4-12-11-5-3-6-13-14(11)17(9-7-15-12)10-8-16-13/h3,5-6,12,15-16H,2,4,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
(10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene has a molecular weight of 231.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is sourced from PubChem (CID 124674668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).