2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane

C17H25N3 — CID 142126137

IUPAC2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane
SMILESCC.CCC(CC)c1ncnc(C2=CC=CC3CC23)n1
InChIInChI=1S/C15H19N3.C2H6/c1-3-10(4-2)14-16-9-17-15(18-14)12-7-5-6-11-8-13(11)12;1-2/h5-7,9-11,13H,3-4,8H2,1-2H3;1-2H3
InChIKeyHGVGLITVTRCYAL-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane

2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane (PubChem CID 142126137) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane.

Molecular Properties

Compound Name2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane
PubChem CID142126137
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane
SMILESCC.CCC(CC)c1ncnc(C2=CC=CC3CC23)n1
InChIInChI=1S/C15H19N3.C2H6/c1-3-10(4-2)14-16-9-17-15(18-14)12-7-5-6-11-8-13(11)12;1-2/h5-7,9-11,13H,3-4,8H2,1-2H3;1-2H3
InChIKeyHGVGLITVTRCYAL-UHFFFAOYSA-N
XLogP4.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane with MolForge

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Related Compounds

2-(3,6-Dimethyloct-6-enyl)-4-methyl-1,3,5-triazine
CID 123551205
2-Cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
CID 129200532
2-(2,8-dimethylspiro[2.5]octa-4,6-dien-2-yl)-4-[(3Z,5Z)-2-methylocta-3,5,7-trien-2-yl]-1,3,5-triazine
CID 142355524
2-Cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine
CID 154955725
2-[(2Z,4E)-1-(3-bicyclo[4.1.0]hepta-4,6-dienyl)hepta-2,4-dien-4-yl]-4,6-dimethyl-1,3,5-triazine
CID 156122773
2-(4-Methylcyclohexa-1,5-dien-1-yl)-4-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 156225701
2-hexa-1,5-dien-3-yl-4-[(1E)-3-[(1E)-hexa-1,5-dienyl]-5,6-dimethylidenedeca-1,9-dienyl]-1,3,5-triazine
CID 166984446
2-cyclohexa-2,4-dien-1-yl-4-[(1E)-3-cyclohexa-1,5-dien-1-yl-6-methyl-5-methylidenedeca-1,9-dienyl]-1,3,5-triazine
CID 166984458
2-[(6S)-1-bicyclo[4.1.0]hepta-2,4-dienyl]-1,3,5-triazine
CID 167122054
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
CID 167122055
2-[(5Z)-hepta-1,5-dien-3-yl]-4-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 169851704
2-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
CID 142126138

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane?
The IUPAC name of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane (CID 142126137) is 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane.
What is the SMILES notation for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane?
The canonical SMILES for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane is CC.CCC(CC)c1ncnc(C2=CC=CC3CC23)n1.
What is the InChIKey of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane?
The InChIKey is HGVGLITVTRCYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.C2H6/c1-3-10(4-2)14-16-9-17-15(18-14)12-7-5-6-11-8-13(11)12;1-2/h5-7,9-11,13H,3-4,8H2,1-2H3;1-2H3.
What are the key properties of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane?
2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane has a molecular weight of 271.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane is sourced from PubChem (CID 142126137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).