4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene

C17H23N3 — CID 54197338

IUPAC4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene
SMILESCCN1CCc2c3n(c4ccccc24)CN(C)CCC31
InChIInChI=1S/C17H23N3/c1-3-19-11-8-14-13-6-4-5-7-15(13)20-12-18(2)10-9-16(19)17(14)20/h4-7,16H,3,8-12H2,1-2H3
InChIKeyPMTPZWOZHKCLMN-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.85
Rot. Bonds1

About 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene

4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene (PubChem CID 54197338) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene.

Molecular Properties

Compound Name4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene
PubChem CID54197338
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene
SMILESCCN1CCc2c3n(c4ccccc24)CN(C)CCC31
InChIInChI=1S/C17H23N3/c1-3-19-11-8-14-13-6-4-5-7-15(13)20-12-18(2)10-9-16(19)17(14)20/h4-7,16H,3,8-12H2,1-2H3
InChIKeyPMTPZWOZHKCLMN-UHFFFAOYSA-N
XLogP2.85
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 23336496
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CID 58793158
(5R)-4-benzyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene
CID 1378091
12-chloro-4-ethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 2882028
6-(2-oxopropyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 3049895
12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 171986129
ethane;16-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ol
CID 91547722
(2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
CID 639317
(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 23242606
1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 68817099
(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine
CID 23327272
6-(cyclohexylmethyl)-3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
CID 20513193

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene?
The IUPAC name of 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene (CID 54197338) is 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene.
What is the SMILES notation for 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene?
The canonical SMILES for 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene is CCN1CCc2c3n(c4ccccc24)CN(C)CCC31.
What is the InChIKey of 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene?
The InChIKey is PMTPZWOZHKCLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-19-11-8-14-13-6-4-5-7-15(13)20-12-18(2)10-9-16(19)17(14)20/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene?
4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene has a molecular weight of 269.39 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-methyl-4,8,10-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraene is sourced from PubChem (CID 54197338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).