6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

C13H21N5 — CID 157267835

IUPAC6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N(C)C)N/C(=N/CCC2=CCC=C2)N1
InChIInChI=1S/C13H21N5/c1-10-15-12(17-13(16-10)18(2)3)14-9-8-11-6-4-5-7-11/h4,6-7,10H,5,8-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyDKGBGEREBLAENL-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.08
Rot. Bonds3

About 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 157267835) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID157267835
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N(C)C)N/C(=N/CCC2=CCC=C2)N1
InChIInChI=1S/C13H21N5/c1-10-15-12(17-13(16-10)18(2)3)14-9-8-11-6-4-5-7-11/h4,6-7,10H,5,8-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyDKGBGEREBLAENL-UHFFFAOYSA-N
XLogP1.08
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 157267835) is 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1N=C(N(C)C)N/C(=N/CCC2=CCC=C2)N1.
What is the InChIKey of 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is DKGBGEREBLAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-15-12(17-13(16-10)18(2)3)14-9-8-11-6-4-5-7-11/h4,6-7,10H,5,8-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopenta-1,4-dien-1-ylethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 157267835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).