2,4-dimethyl-1,4-dihydro-1,3,5-triazine

C5H9N3 — CID 22328857

IUPAC2,4-dimethyl-1,4-dihydro-1,3,5-triazine
SMILESCC1=NC(C)N=CN1
InChIInChI=1S/C5H9N3/c1-4-6-3-7-5(2)8-4/h3-4H,1-2H3,(H,6,7,8)
InChIKeyIWHJGERZVAQFEU-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.38
Rot. Bonds

About 2,4-dimethyl-1,4-dihydro-1,3,5-triazine

2,4-dimethyl-1,4-dihydro-1,3,5-triazine (PubChem CID 22328857) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2,4-dimethyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-1,4-dihydro-1,3,5-triazine
PubChem CID22328857
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2,4-dimethyl-1,4-dihydro-1,3,5-triazine
SMILESCC1=NC(C)N=CN1
InChIInChI=1S/C5H9N3/c1-4-6-3-7-5(2)8-4/h3-4H,1-2H3,(H,6,7,8)
InChIKeyIWHJGERZVAQFEU-UHFFFAOYSA-N
XLogP0.38
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-1,4-dihydro-1,3,5-triazine (CID 22328857) is 2,4-dimethyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-1,4-dihydro-1,3,5-triazine is CC1=NC(C)N=CN1.
What is the InChIKey of 2,4-dimethyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is IWHJGERZVAQFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-6-3-7-5(2)8-4/h3-4H,1-2H3,(H,6,7,8).
What are the key properties of 2,4-dimethyl-1,4-dihydro-1,3,5-triazine?
2,4-dimethyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 111.15 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 22328857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).