6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine

C12H18N4 — CID 118857531

IUPAC6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCC1N=C(C2C=CC=CC2)NC(N(C)C)=N1
InChIInChI=1S/C12H18N4/c1-9-13-11(10-7-5-4-6-8-10)15-12(14-9)16(2)3/h4-7,9-10H,8H2,1-3H3,(H,13,14,15)
InChIKeyGQBNEUWOFNYMLX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.38
Rot. Bonds1

About 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine

6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 118857531) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID118857531
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCC1N=C(C2C=CC=CC2)NC(N(C)C)=N1
InChIInChI=1S/C12H18N4/c1-9-13-11(10-7-5-4-6-8-10)15-12(14-9)16(2)3/h4-7,9-10H,8H2,1-3H3,(H,13,14,15)
InChIKeyGQBNEUWOFNYMLX-UHFFFAOYSA-N
XLogP1.38
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine (CID 118857531) is 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine is CC1N=C(C2C=CC=CC2)NC(N(C)C)=N1.
What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is GQBNEUWOFNYMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-13-11(10-7-5-4-6-8-10)15-12(14-9)16(2)3/h4-7,9-10H,8H2,1-3H3,(H,13,14,15).
What are the key properties of 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine?
6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 118857531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).