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

C13H16N4 — CID 145023613

IUPAC3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCn2c(nnc2C2=CC=CC3CC23)C1
InChIInChI=1S/C13H16N4/c1-16-5-6-17-12(8-16)14-15-13(17)10-4-2-3-9-7-11(9)10/h2-4,9,11H,5-8H2,1H3
InChIKeyGDHSBAQAAMSURS-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.31
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

3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 145023613) has the molecular formula C13H16N4 and a molecular weight of 228.30 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.

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
PubChem CID145023613
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
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
SMILESCN1CCn2c(nnc2C2=CC=CC3CC23)C1
InChIInChI=1S/C13H16N4/c1-16-5-6-17-12(8-16)14-15-13(17)10-4-2-3-9-7-11(9)10/h2-4,9,11H,5-8H2,1H3
InChIKeyGDHSBAQAAMSURS-UHFFFAOYSA-N
XLogP1.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.31
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 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
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
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

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?
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 (CID 145023613) 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.
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?
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 is 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?
The InChIKey is GDHSBAQAAMSURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-16-5-6-17-12(8-16)14-15-13(17)10-4-2-3-9-7-11(9)10/h2-4,9,11H,5-8H2,1H3.
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?
3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 228.30 g/mol, XLogP of 1.31, 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 is sourced from PubChem (CID 145023613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).