2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine

C12H10ClN3 — CID 123974938

IUPAC2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(Cl)nc(C2=CC=CC=CC=C2)n1
InChIInChI=1S/C12H10ClN3/c1-9-14-11(16-12(13)15-9)10-7-5-3-2-4-6-8-10/h2-8H,1H3
InChIKeyNVYHVAMQHJNYJT-UHFFFAOYSA-N
MW231.69 g/mol
LogP2.90
Rot. Bonds1

About 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine

2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine (PubChem CID 123974938) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine
PubChem CID123974938
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(Cl)nc(C2=CC=CC=CC=C2)n1
InChIInChI=1S/C12H10ClN3/c1-9-14-11(16-12(13)15-9)10-7-5-3-2-4-6-8-10/h2-8H,1H3
InChIKeyNVYHVAMQHJNYJT-UHFFFAOYSA-N
XLogP2.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(cyclooctatetraenyl)-6-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine (CID 123974938) is 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine is Cc1nc(Cl)nc(C2=CC=CC=CC=C2)n1.
What is the InChIKey of 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine?
The InChIKey is NVYHVAMQHJNYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-9-14-11(16-12(13)15-9)10-7-5-3-2-4-6-8-10/h2-8H,1H3.
What are the key properties of 2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine?
2-chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine has a molecular weight of 231.69 g/mol, XLogP of 2.90, 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)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 123974938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).