2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine

C11H8ClN3 — CID 123579772

IUPAC2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine
SMILESClc1ncnc(C2=CC=CC=CC=C2)n1
InChIInChI=1S/C11H8ClN3/c12-11-14-8-13-10(15-11)9-6-4-2-1-3-5-7-9/h1-8H
InChIKeyBCNXNADCHFZWTQ-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.59
Rot. Bonds1

About 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine

2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine (PubChem CID 123579772) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine
PubChem CID123579772
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine
SMILESClc1ncnc(C2=CC=CC=CC=C2)n1
InChIInChI=1S/C11H8ClN3/c12-11-14-8-13-10(15-11)9-6-4-2-1-3-5-7-9/h1-8H
InChIKeyBCNXNADCHFZWTQ-UHFFFAOYSA-N
XLogP2.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine (CID 123579772) is 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine is Clc1ncnc(C2=CC=CC=CC=C2)n1.
What is the InChIKey of 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine?
The InChIKey is BCNXNADCHFZWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c12-11-14-8-13-10(15-11)9-6-4-2-1-3-5-7-9/h1-8H.
What are the key properties of 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine?
2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine has a molecular weight of 217.66 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclooctatetraenyl)-1,3,5-triazine is sourced from PubChem (CID 123579772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).