6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

C12H18N6 — CID 157136985

IUPAC6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NC2=CCC=C2)nc(N(C)C)n1
InChIInChI=1S/C12H18N6/c1-17(2)11-14-10(13-9-7-5-6-8-9)15-12(16-11)18(3)4/h5,7-8H,6H2,1-4H3,(H,13,14,15,16)
InChIKeyHYJSOCXSWVTORG-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.26
Rot. Bonds4

About 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 157136985) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID157136985
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NC2=CCC=C2)nc(N(C)C)n1
InChIInChI=1S/C12H18N6/c1-17(2)11-14-10(13-9-7-5-6-8-9)15-12(16-11)18(3)4/h5,7-8H,6H2,1-4H3,(H,13,14,15,16)
InChIKeyHYJSOCXSWVTORG-UHFFFAOYSA-N
XLogP1.26
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (CID 157136985) is 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(NC2=CCC=C2)nc(N(C)C)n1.
What is the InChIKey of 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HYJSOCXSWVTORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-17(2)11-14-10(13-9-7-5-6-8-9)15-12(16-11)18(3)4/h5,7-8H,6H2,1-4H3,(H,13,14,15,16).
What are the key properties of 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 246.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopenta-1,4-dien-1-yl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157136985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).