4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine

C11H19N5 — CID 149005303

IUPAC4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCN1C(N)=NC(C2=CCCC=C2)N(C)C1N
InChIInChI=1S/C11H19N5/c1-15-9(8-6-4-3-5-7-8)14-10(12)16(2)11(15)13/h4,6-7,9,11H,3,5,13H2,1-2H3,(H2,12,14)
InChIKeyQALIRCHPXOZSIS-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.02
Rot. Bonds1

About 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine

4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 149005303) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID149005303
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCN1C(N)=NC(C2=CCCC=C2)N(C)C1N
InChIInChI=1S/C11H19N5/c1-15-9(8-6-4-3-5-7-8)14-10(12)16(2)11(15)13/h4,6-7,9,11H,3,5,13H2,1-2H3,(H2,12,14)
InChIKeyQALIRCHPXOZSIS-UHFFFAOYSA-N
XLogP0.02
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine (CID 149005303) is 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine is CN1C(N)=NC(C2=CCCC=C2)N(C)C1N.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is QALIRCHPXOZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15-9(8-6-4-3-5-7-8)14-10(12)16(2)11(15)13/h4,6-7,9,11H,3,5,13H2,1-2H3,(H2,12,14).
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine?
4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-1,3-dimethyl-2,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 149005303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).