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

C11H17N3 — CID 143502316

IUPACethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
SMILESCC.CCC1=Cn2ncnc2C2CC12
InChIInChI=1S/C9H11N3.C2H6/c1-2-6-4-12-9(10-5-11-12)8-3-7(6)8;1-2/h4-5,7-8H,2-3H2,1H3;1-2H3
InChIKeyKGRBPDNDDJREKV-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.67
Rot. Bonds1

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

ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene (PubChem CID 143502316) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene.

Molecular Properties

Compound Nameethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
PubChem CID143502316
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Nameethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
SMILESCC.CCC1=Cn2ncnc2C2CC12
InChIInChI=1S/C9H11N3.C2H6/c1-2-6-4-12-9(10-5-11-12)8-3-7(6)8;1-2/h4-5,7-8H,2-3H2,1H3;1-2H3
InChIKeyKGRBPDNDDJREKV-UHFFFAOYSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.67
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;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
1-[(E)-2-ethyl-3-methylbut-1-enyl]-5-methyl-1,2,4-triazole
CID 172607178
5-Ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
CID 143502317

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene?
The IUPAC name of ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene (CID 143502316) is ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene.
What is the SMILES notation for ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene?
The canonical SMILES for ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene is CC.CCC1=Cn2ncnc2C2CC12.
What is the InChIKey of ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene?
The InChIKey is KGRBPDNDDJREKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C2H6/c1-2-6-4-12-9(10-5-11-12)8-3-7(6)8;1-2/h4-5,7-8H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene?
ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene has a molecular weight of 191.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene is sourced from PubChem (CID 143502316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).