cyclodeca[d]triazine

C11H9N3 — CID 68541333

IUPACcyclodeca[d]triazine
SMILESc1ccccc2nnncc2ccc1
InChIInChI=1S/C11H9N3/c1-2-4-6-8-11-10(7-5-3-1)9-12-14-13-11/h1-9H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,10-7-,11-8+
InChIKeyJHAHPFTVMQUOOS-DJPLKYPASA-N
MW183.21 g/mol
LogP2.15
Rot. Bonds

About cyclodeca[d]triazine

cyclodeca[d]triazine (PubChem CID 68541333) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is cyclodeca[d]triazine.

Molecular Properties

Compound Namecyclodeca[d]triazine
PubChem CID68541333
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Namecyclodeca[d]triazine
SMILESc1ccccc2nnncc2ccc1
InChIInChI=1S/C11H9N3/c1-2-4-6-8-11-10(7-5-3-1)9-12-14-13-11/h1-9H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,10-7-,11-8+
InChIKeyJHAHPFTVMQUOOS-DJPLKYPASA-N
XLogP2.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclodeca[d]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-benzotriazine;hydrazine
CID 67089361
cyclodeca[c]pyridazine
CID 68549169
pyrido[3,2-d]triazine
CID 56972665
propane;pyrido[4,3-d]triazine
CID 145045476
1,1'-biphenyl;phthalazine
CID 158397766
cinnoline;hydroiodide
CID 174664707
cinnoline;hydrochloride
CID 175461371
2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene
CID 140585728
cinnoline;isoquinoline;phthalazine
CID 142014837
cinnoline;phenol
CID 174264955
benzene;triazine-4,5-diamine
CID 174638520
3-cinnolin-3-ylcinnoline
CID 12908797

Frequently Asked Questions

What is the IUPAC name of cyclodeca[d]triazine?
The IUPAC name of cyclodeca[d]triazine (CID 68541333) is cyclodeca[d]triazine.
What is the SMILES notation for cyclodeca[d]triazine?
The canonical SMILES for cyclodeca[d]triazine is c1ccccc2nnncc2ccc1.
What is the InChIKey of cyclodeca[d]triazine?
The InChIKey is JHAHPFTVMQUOOS-DJPLKYPASA-N. The full InChI is InChI=1S/C11H9N3/c1-2-4-6-8-11-10(7-5-3-1)9-12-14-13-11/h1-9H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,10-7-,11-8+.
What are the key properties of cyclodeca[d]triazine?
cyclodeca[d]triazine has a molecular weight of 183.21 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodeca[d]triazine is sourced from PubChem (CID 68541333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).