2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine

C16H17N3 — CID 130312830

IUPAC2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(C2C=CC=CC2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C16H17N3/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14/h2-8,10,13-14H,9,11H2,1H3
InChIKeyTYXDGTDYOZCEHZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.38
Rot. Bonds2

About 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine

2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine (PubChem CID 130312830) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine
PubChem CID130312830
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(C2C=CC=CC2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C16H17N3/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14/h2-8,10,13-14H,9,11H2,1H3
InChIKeyTYXDGTDYOZCEHZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine (CID 130312830) is 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine is Cc1nc(C2C=CC=CC2)nc(C2C=CC=CC2)n1.
What is the InChIKey of 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine?
The InChIKey is TYXDGTDYOZCEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14/h2-8,10,13-14H,9,11H2,1H3.
What are the key properties of 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine?
2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine has a molecular weight of 251.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(cyclohexa-2,4-dien-1-yl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 130312830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).