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

C15H19N3 — CID 142126138

IUPAC2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
SMILESCCC(CC)c1ncnc(C2=CC=CC3CC23)n1
InChIInChI=1S/C15H19N3/c1-3-10(4-2)14-16-9-17-15(18-14)12-7-5-6-11-8-13(11)12/h5-7,9-11,13H,3-4,8H2,1-2H3
InChIKeyRGBVCPJCCHALPU-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.36
Rot. Bonds4

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

2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine (PubChem CID 142126138) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
PubChem CID142126138
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
SMILESCCC(CC)c1ncnc(C2=CC=CC3CC23)n1
InChIInChI=1S/C15H19N3/c1-3-10(4-2)14-16-9-17-15(18-14)12-7-5-6-11-8-13(11)12/h5-7,9-11,13H,3-4,8H2,1-2H3
InChIKeyRGBVCPJCCHALPU-UHFFFAOYSA-N
XLogP3.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.36
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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclohex-2-en-1-yl-1,3,5-triazine
CID 70120396
2-(4-Methyl-1,3,5-triazin-2-yl)cyclohexa-2,4-diene-1-thione
CID 88602223
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-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane
CID 142126137
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

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?
The IUPAC name of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine (CID 142126138) is 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine?
The canonical SMILES for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine is 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?
The InChIKey is RGBVCPJCCHALPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-10(4-2)14-16-9-17-15(18-14)12-7-5-6-11-8-13(11)12/h5-7,9-11,13H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine?
2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine has a molecular weight of 241.34 g/mol, XLogP of 3.36, 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 is sourced from PubChem (CID 142126138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).