4-(3-ethyloctan-3-yl)triazine

C13H23N3 — CID 175126429

IUPAC4-(3-ethyloctan-3-yl)triazine
SMILESCCCCCC(CC)(CC)c1ccnnn1
InChIInChI=1S/C13H23N3/c1-4-7-8-10-13(5-2,6-3)12-9-11-14-16-15-12/h9,11H,4-8,10H2,1-3H3
InChIKeyPSOWDEASDMQQHM-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.51
Rot. Bonds7

About 4-(3-ethyloctan-3-yl)triazine

4-(3-ethyloctan-3-yl)triazine (PubChem CID 175126429) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-(3-ethyloctan-3-yl)triazine.

Molecular Properties

Compound Name4-(3-ethyloctan-3-yl)triazine
PubChem CID175126429
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-(3-ethyloctan-3-yl)triazine
SMILESCCCCCC(CC)(CC)c1ccnnn1
InChIInChI=1S/C13H23N3/c1-4-7-8-10-13(5-2,6-3)12-9-11-14-16-15-12/h9,11H,4-8,10H2,1-3H3
InChIKeyPSOWDEASDMQQHM-UHFFFAOYSA-N
XLogP3.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethylheptadecan-3-yl)-1,3-oxazole
CID 170549623
4-[2-(2,2-diethylheptoxy)phenyl]triazine
CID 175138004
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CID 150177069
N-pentyl-N-(triazin-4-yl)hydroxylamine
CID 88680972
2-(6-ethylundecan-6-yl)phenol
CID 87183650
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
4-(7-methyltridecan-7-yl)pyridazine
CID 146508245
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-ethyl-2-phenylnonan-1-ol
CID 66057887
3-(chloromethyl)undecan-3-ylbenzene
CID 66033821
4-ethyltriazine
CID 18681208

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyloctan-3-yl)triazine?
The IUPAC name of 4-(3-ethyloctan-3-yl)triazine (CID 175126429) is 4-(3-ethyloctan-3-yl)triazine.
What is the SMILES notation for 4-(3-ethyloctan-3-yl)triazine?
The canonical SMILES for 4-(3-ethyloctan-3-yl)triazine is CCCCCC(CC)(CC)c1ccnnn1.
What is the InChIKey of 4-(3-ethyloctan-3-yl)triazine?
The InChIKey is PSOWDEASDMQQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-7-8-10-13(5-2,6-3)12-9-11-14-16-15-12/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 4-(3-ethyloctan-3-yl)triazine?
4-(3-ethyloctan-3-yl)triazine has a molecular weight of 221.35 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyloctan-3-yl)triazine is sourced from PubChem (CID 175126429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).