2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine

C15H14ClN3 — CID 118363220

IUPAC2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine
SMILESClc1nc(C2=CCCC=C2)nc(C2=CC=CCC2)n1
InChIInChI=1S/C15H14ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,5,7,9-10H,2,4,6,8H2
InChIKeyFOQDKVDFUNSWKF-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.99
Rot. Bonds2

About 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine

2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine (PubChem CID 118363220) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine
PubChem CID118363220
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine
SMILESClc1nc(C2=CCCC=C2)nc(C2=CC=CCC2)n1
InChIInChI=1S/C15H14ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,5,7,9-10H,2,4,6,8H2
InChIKeyFOQDKVDFUNSWKF-UHFFFAOYSA-N
XLogP3.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine (CID 118363220) is 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine is Clc1nc(C2=CCCC=C2)nc(C2=CC=CCC2)n1.
What is the InChIKey of 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine?
The InChIKey is FOQDKVDFUNSWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1,3,5,7,9-10H,2,4,6,8H2.
What are the key properties of 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine?
2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine has a molecular weight of 271.75 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-1,3,5-triazine is sourced from PubChem (CID 118363220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).