6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine

C18H17N5 — CID 176543243

IUPAC6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Nc2ccccc2)nc(C2=CC=CC=C=C2)n1
InChIInChI=1S/C18H17N5/c1-23(2)18-21-16(14-10-6-3-4-7-11-14)20-17(22-18)19-15-12-8-5-9-13-15/h3-6,8-13H,1-2H3,(H,19,20,21,22)
InChIKeyIILRCRRCAGMZFE-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.35
Rot. Bonds4

About 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine

6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 176543243) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID176543243
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Nc2ccccc2)nc(C2=CC=CC=C=C2)n1
InChIInChI=1S/C18H17N5/c1-23(2)18-21-16(14-10-6-3-4-7-11-14)20-17(22-18)19-15-12-8-5-9-13-15/h3-6,8-13H,1-2H3,(H,19,20,21,22)
InChIKeyIILRCRRCAGMZFE-UHFFFAOYSA-N
XLogP3.35
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 176543243) is 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Nc2ccccc2)nc(C2=CC=CC=C=C2)n1.
What is the InChIKey of 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IILRCRRCAGMZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-23(2)18-21-16(14-10-6-3-4-7-11-14)20-17(22-18)19-15-12-8-5-9-13-15/h3-6,8-13H,1-2H3,(H,19,20,21,22).
What are the key properties of 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 303.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohepta-1,3,5,6-tetraen-1-yl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 176543243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).