6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine

C11H21N3 — CID 130255757

IUPAC6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine
SMILESC=CC1=C(C(C)CC)NNN(CC)C1
InChIInChI=1S/C11H21N3/c1-5-9(4)11-10(6-2)8-14(7-3)13-12-11/h6,9,12-13H,2,5,7-8H2,1,3-4H3
InChIKeyOLDQMCJBQZXNEY-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds4

About 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine

6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine (PubChem CID 130255757) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine.

Molecular Properties

Compound Name6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine
PubChem CID130255757
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine
SMILESC=CC1=C(C(C)CC)NNN(CC)C1
InChIInChI=1S/C11H21N3/c1-5-9(4)11-10(6-2)8-14(7-3)13-12-11/h6,9,12-13H,2,5,7-8H2,1,3-4H3
InChIKeyOLDQMCJBQZXNEY-UHFFFAOYSA-N
XLogP1.82
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine?
The IUPAC name of 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine (CID 130255757) is 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine.
What is the SMILES notation for 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine?
The canonical SMILES for 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine is C=CC1=C(C(C)CC)NNN(CC)C1.
What is the InChIKey of 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine?
The InChIKey is OLDQMCJBQZXNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-9(4)11-10(6-2)8-14(7-3)13-12-11/h6,9,12-13H,2,5,7-8H2,1,3-4H3.
What are the key properties of 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine?
6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine has a molecular weight of 195.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-ethenyl-3-ethyl-2,4-dihydro-1H-triazine is sourced from PubChem (CID 130255757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).