5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene

C9H11N3 — CID 143502317

IUPAC5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
SMILESCCC1=Cn2ncnc2C2CC12
InChIInChI=1S/C9H11N3/c1-2-6-4-12-9(10-5-11-12)8-3-7(6)8/h4-5,7-8H,2-3H2,1H3
InChIKeyYRZYAPZYVCJBBI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.65
Rot. Bonds1

About 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene

5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene (PubChem CID 143502317) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene.

Molecular Properties

Compound Name5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
PubChem CID143502317
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
SMILESCCC1=Cn2ncnc2C2CC12
InChIInChI=1S/C9H11N3/c1-2-6-4-12-9(10-5-11-12)8-3-7(6)8/h4-5,7-8H,2-3H2,1H3
InChIKeyYRZYAPZYVCJBBI-UHFFFAOYSA-N
XLogP1.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8,8-Trimethyl-7,9-dihydro-[1,2,4]triazolo[4,3-a]azepine
CID 91340879
Ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
CID 143502316
Ethane;6-methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 143587981
6-Methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 143587982
6-Ethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 148069634
1-(2-Bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole
CID 163996097
Ethane;6-propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 164555160
6-Propan-2-yl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 164555161
6-Propan-2-yl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 172607118

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene?
The IUPAC name of 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene (CID 143502317) is 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene.
What is the SMILES notation for 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene?
The canonical SMILES for 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene is CCC1=Cn2ncnc2C2CC12.
What is the InChIKey of 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene?
The InChIKey is YRZYAPZYVCJBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-6-4-12-9(10-5-11-12)8-3-7(6)8/h4-5,7-8H,2-3H2,1H3.
What are the key properties of 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene?
5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene has a molecular weight of 161.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene is sourced from PubChem (CID 143502317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).