4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene

C13H21N3 — CID 83217872

IUPAC4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene
SMILESCCN1CCc2nc3n(c2C1)CCCC3C
InChIInChI=1S/C13H21N3/c1-3-15-8-6-11-12(9-15)16-7-4-5-10(2)13(16)14-11/h10H,3-9H2,1-2H3
InChIKeyNZVUXOIUSSEFLE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.16
Rot. Bonds1

About 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene

4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene (PubChem CID 83217872) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene.

Molecular Properties

Compound Name4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene
PubChem CID83217872
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene
SMILESCCN1CCc2nc3n(c2C1)CCCC3C
InChIInChI=1S/C13H21N3/c1-3-15-8-6-11-12(9-15)16-7-4-5-10(2)13(16)14-11/h10H,3-9H2,1-2H3
InChIKeyNZVUXOIUSSEFLE-UHFFFAOYSA-N
XLogP2.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene
CID 83218138
4-ethyl-10-thia-1,4,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),8,11(16)-triene
CID 83086024
2-(1-ethylpiperidin-3-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117157804
(2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82503668
3-(1-ethylpiperidin-4-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152479
12-chloro-4-ethyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 115403880
ethane;1-ethyl-3-methylpiperidine
CID 91361629
2-(1-methoxypropan-2-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 116503607
2-(1-ethylpyrazol-4-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 103571103
3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117153179
6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142805068
1-(2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)cyclopropan-1-amine
CID 84778720

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene?
The IUPAC name of 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene (CID 83217872) is 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene.
What is the SMILES notation for 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene?
The canonical SMILES for 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene is CCN1CCc2nc3n(c2C1)CCCC3C.
What is the InChIKey of 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene?
The InChIKey is NZVUXOIUSSEFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-15-8-6-11-12(9-15)16-7-4-5-10(2)13(16)14-11/h10H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene?
4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene has a molecular weight of 219.33 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene is sourced from PubChem (CID 83217872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).