9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene

C15H21N3 — CID 143181782

IUPAC9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene
SMILESCC1=C(C)C2CN(C)CCN2c2ncccc2C1
InChIInChI=1S/C15H21N3/c1-11-9-13-5-4-6-16-15(13)18-8-7-17(3)10-14(18)12(11)2/h4-6,14H,7-10H2,1-3H3
InChIKeyMDIGWIQYFKFLPJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.09
Rot. Bonds

About 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene

9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene (PubChem CID 143181782) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene
PubChem CID143181782
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene
SMILESCC1=C(C)C2CN(C)CCN2c2ncccc2C1
InChIInChI=1S/C15H21N3/c1-11-9-13-5-4-6-16-15(13)18-8-7-17(3)10-14(18)12(11)2/h4-6,14H,7-10H2,1-3H3
InChIKeyMDIGWIQYFKFLPJ-UHFFFAOYSA-N
XLogP2.09
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methanesulfonic acid;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 11639107
[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-pyridinyl]methanol;(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 24744055
1-[3-(chloromethyl)-2-pyridinyl]-4-methyl-2-phenylpiperazine
CID 61257187
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-one
CID 25156465
[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine
CID 80506253
[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate
CID 132577925
6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
CID 81134069
5-methyl-10H-pyrazino[2,3-b][1,8]naphthyridine
CID 162174860
2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione
CID 22857563
2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
CID 79639316
2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 10467350

Frequently Asked Questions

What is the IUPAC name of 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene?
The IUPAC name of 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene (CID 143181782) is 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene.
What is the SMILES notation for 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene?
The canonical SMILES for 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene is CC1=C(C)C2CN(C)CCN2c2ncccc2C1.
What is the InChIKey of 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene?
The InChIKey is MDIGWIQYFKFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-9-13-5-4-6-16-15(13)18-8-7-17(3)10-14(18)12(11)2/h4-6,14H,7-10H2,1-3H3.
What are the key properties of 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene?
9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene has a molecular weight of 243.35 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 143181782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).