2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine

C12H13N3 — CID 156510567

IUPAC2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine
SMILESCC1(C)C=CC=C(c2ncncn2)C=C1
InChIInChI=1S/C12H13N3/c1-12(2)6-3-4-10(5-7-12)11-14-8-13-9-15-11/h3-9H,1-2H3
InChIKeyWVVLMBDFQSTNCG-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.41
Rot. Bonds1

About 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine

2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine (PubChem CID 156510567) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine
PubChem CID156510567
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine
SMILESCC1(C)C=CC=C(c2ncncn2)C=C1
InChIInChI=1S/C12H13N3/c1-12(2)6-3-4-10(5-7-12)11-14-8-13-9-15-11/h3-9H,1-2H3
InChIKeyWVVLMBDFQSTNCG-UHFFFAOYSA-N
XLogP2.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine (CID 156510567) is 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine is CC1(C)C=CC=C(c2ncncn2)C=C1.
What is the InChIKey of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine?
The InChIKey is WVVLMBDFQSTNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-12(2)6-3-4-10(5-7-12)11-14-8-13-9-15-11/h3-9H,1-2H3.
What are the key properties of 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine?
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine has a molecular weight of 199.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 156510567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).