12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

C14H21N3 — CID 114432018

IUPAC12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESCCC1CCN2c3nc(C)ccc3NCC2C1
InChIInChI=1S/C14H21N3/c1-3-11-6-7-17-12(8-11)9-15-13-5-4-10(2)16-14(13)17/h4-5,11-12,15H,3,6-9H2,1-2H3
InChIKeySDLBUUWGXMPSNZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.81
Rot. Bonds1

About 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (PubChem CID 114432018) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.

Molecular Properties

Compound Name12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
PubChem CID114432018
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESCCC1CCN2c3nc(C)ccc3NCC2C1
InChIInChI=1S/C14H21N3/c1-3-11-6-7-17-12(8-11)9-15-13-5-4-10(2)16-14(13)17/h4-5,11-12,15H,3,6-9H2,1-2H3
InChIKeySDLBUUWGXMPSNZ-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene with MolForge

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Related Compounds

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CID 5011
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N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
(R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265727
(R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265828
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CID 975714
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
(9R,13R)-4,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409096
(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265705
(R)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265831
Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The IUPAC name of 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (CID 114432018) is 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.
What is the SMILES notation for 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The canonical SMILES for 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is CCC1CCN2c3nc(C)ccc3NCC2C1.
What is the InChIKey of 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The InChIKey is SDLBUUWGXMPSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-11-6-7-17-12(8-11)9-15-13-5-4-10(2)16-14(13)17/h4-5,11-12,15H,3,6-9H2,1-2H3.
What are the key properties of 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene has a molecular weight of 231.34 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is sourced from PubChem (CID 114432018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).