4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine

C7H13N3 — CID 58833851

IUPAC4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine
SMILESCCC1N=C(C)NC(C)=N1
InChIInChI=1S/C7H13N3/c1-4-7-9-5(2)8-6(3)10-7/h7H,4H2,1-3H3,(H,8,9,10)
InChIKeyNRUKBGQYFZDEAC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.16
Rot. Bonds1

About 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine

4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine (PubChem CID 58833851) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine
PubChem CID58833851
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine
SMILESCCC1N=C(C)NC(C)=N1
InChIInChI=1S/C7H13N3/c1-4-7-9-5(2)8-6(3)10-7/h7H,4H2,1-3H3,(H,8,9,10)
InChIKeyNRUKBGQYFZDEAC-UHFFFAOYSA-N
XLogP1.16
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine (CID 58833851) is 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine is CCC1N=C(C)NC(C)=N1.
What is the InChIKey of 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is NRUKBGQYFZDEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-7-9-5(2)8-6(3)10-7/h7H,4H2,1-3H3,(H,8,9,10).
What are the key properties of 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine?
4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 139.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 58833851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).