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

C16H21N3 — CID 142355694

IUPAC2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1ncnc(C(C)(C)C23C=CC=CC2C3)n1
InChIInChI=1S/C16H21N3/c1-11(2)13-17-10-18-14(19-13)15(3,4)16-8-6-5-7-12(16)9-16/h5-8,10-12H,9H2,1-4H3
InChIKeyVGSLWUKNHSLVQK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.40
Rot. Bonds3

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

2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine (PubChem CID 142355694) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine
PubChem CID142355694
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1ncnc(C(C)(C)C23C=CC=CC2C3)n1
InChIInChI=1S/C16H21N3/c1-11(2)13-17-10-18-14(19-13)15(3,4)16-8-6-5-7-12(16)9-16/h5-8,10-12H,9H2,1-4H3
InChIKeyVGSLWUKNHSLVQK-UHFFFAOYSA-N
XLogP3.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,6-Dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 141155390
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
2,4-Bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 154388626
2-[(6S)-1-bicyclo[4.1.0]hepta-2,4-dienyl]-1,3,5-triazine
CID 167122054
2-[(5Z)-hepta-1,5-dien-3-yl]-4-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 169851704
2,4-dimethyl-6-[(6S)-6-methyl-6-pentylcyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 173604810
2-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
CID 142126138
2-(2-Methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine
CID 145347971
2-(2,8-Dimethylspiro[2.5]octa-4,6-dien-2-yl)-4-propan-2-yl-1,3,5-triazine
CID 145348068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine (CID 142355694) is 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine is CC(C)c1ncnc(C(C)(C)C23C=CC=CC2C3)n1.
What is the InChIKey of 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine?
The InChIKey is VGSLWUKNHSLVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)13-17-10-18-14(19-13)15(3,4)16-8-6-5-7-12(16)9-16/h5-8,10-12H,9H2,1-4H3.
What are the key properties of 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine?
2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine has a molecular weight of 255.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)propan-2-yl]-4-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 142355694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).