3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane

C15H22N4 — CID 145023612

IUPAC3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane
SMILESCC.CN1CCn2c(nnc2C2=CC=CC3CC23)C1
InChIInChI=1S/C13H16N4.C2H6/c1-16-5-6-17-12(8-16)14-15-13(17)10-4-2-3-9-7-11(9)10;1-2/h2-4,9,11H,5-8H2,1H3;1-2H3
InChIKeyOOHAEKULAXZRTA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.34
Rot. Bonds1

About 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane

3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane (PubChem CID 145023612) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane.

Molecular Properties

Compound Name3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane
PubChem CID145023612
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane
SMILESCC.CN1CCn2c(nnc2C2=CC=CC3CC23)C1
InChIInChI=1S/C13H16N4.C2H6/c1-16-5-6-17-12(8-16)14-15-13(17)10-4-2-3-9-7-11(9)10;1-2/h2-4,9,11H,5-8H2,1H3;1-2H3
InChIKeyOOHAEKULAXZRTA-UHFFFAOYSA-N
XLogP2.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane with MolForge

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Related Compounds

7-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 70814001
4-[3-(3-Bicyclo[4.1.0]hepta-2,4-dienyl)-5-methyl-1,2,4-triazol-4-yl]piperidine
CID 164006527
(2R,6R)-4-[[(1R)-cyclohex-3-en-1-yl]methyl]-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565922
(2R,6R)-4-[[(1S)-cyclohex-3-en-1-yl]methyl]-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565923
(2R,6R)-4-(cyclohex-3-en-1-ylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 110226525
1-cyclohex-3-en-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 113226501
7-cyclohex-2-en-1-yl-3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 128395268
4-[5-(1-Cyclohepta-1,4,6-trien-1-ylcyclopropyl)-4-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 143046839
3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 145023613

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane?
The IUPAC name of 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane (CID 145023612) is 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane.
What is the SMILES notation for 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane?
The canonical SMILES for 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane is CC.CN1CCn2c(nnc2C2=CC=CC3CC23)C1.
What is the InChIKey of 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane?
The InChIKey is OOHAEKULAXZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.C2H6/c1-16-5-6-17-12(8-16)14-15-13(17)10-4-2-3-9-7-11(9)10;1-2/h2-4,9,11H,5-8H2,1H3;1-2H3.
What are the key properties of 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane?
3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane has a molecular weight of 258.37 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane is sourced from PubChem (CID 145023612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).