2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene

C12H21N3 — CID 91383352

IUPAC2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene
SMILESC=CCCC.CCc1nc(C)nc(C)n1
InChIInChI=1S/C7H11N3.C5H10/c1-4-7-9-5(2)8-6(3)10-7;1-3-5-4-2/h4H2,1-3H3;3H,1,4-5H2,2H3
InChIKeyUWZHJXCETYGSOL-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.02
Rot. Bonds3

About 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene

2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene (PubChem CID 91383352) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene.

Molecular Properties

Compound Name2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene
PubChem CID91383352
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene
SMILESC=CCCC.CCc1nc(C)nc(C)n1
InChIInChI=1S/C7H11N3.C5H10/c1-4-7-9-5(2)8-6(3)10-7;1-3-5-4-2/h4H2,1-3H3;3H,1,4-5H2,2H3
InChIKeyUWZHJXCETYGSOL-UHFFFAOYSA-N
XLogP3.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene?
The IUPAC name of 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene (CID 91383352) is 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene.
What is the SMILES notation for 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene?
The canonical SMILES for 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene is C=CCCC.CCc1nc(C)nc(C)n1.
What is the InChIKey of 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene?
The InChIKey is UWZHJXCETYGSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.C5H10/c1-4-7-9-5(2)8-6(3)10-7;1-3-5-4-2/h4H2,1-3H3;3H,1,4-5H2,2H3.
What are the key properties of 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene?
2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene has a molecular weight of 207.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-dimethyl-1,3,5-triazine;pent-1-ene is sourced from PubChem (CID 91383352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).