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

C10H14N6 — CID 157136982

IUPAC4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NC2=CCC=C2)n1
InChIInChI=1S/C10H14N6/c1-16(2)10-14-8(11)13-9(15-10)12-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyADZIZZIUUWSARX-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.78
Rot. Bonds3

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

4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 157136982) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID157136982
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(NC2=CCC=C2)n1
InChIInChI=1S/C10H14N6/c1-16(2)10-14-8(11)13-9(15-10)12-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyADZIZZIUUWSARX-UHFFFAOYSA-N
XLogP0.78
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 157136982) is 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(NC2=CCC=C2)n1.
What is the InChIKey of 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ADZIZZIUUWSARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-16(2)10-14-8(11)13-9(15-10)12-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 218.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopenta-1,4-dien-1-yl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157136982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).