4-butoxytriazine

C7H11N3O — CID 19742567

IUPAC4-butoxytriazine
SMILESCCCCOc1ccnnn1
InChIInChI=1S/C7H11N3O/c1-2-3-6-11-7-4-5-8-10-9-7/h4-5H,2-3,6H2,1H3
InChIKeyXNRXMZMYSDIHDL-UHFFFAOYSA-N
MW153.19 g/mol
LogP1.05
Rot. Bonds4

About 4-butoxytriazine

4-butoxytriazine (PubChem CID 19742567) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-butoxytriazine.

Molecular Properties

Compound Name4-butoxytriazine
PubChem CID19742567
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-butoxytriazine
SMILESCCCCOc1ccnnn1
InChIInChI=1S/C7H11N3O/c1-2-3-6-11-7-4-5-8-10-9-7/h4-5H,2-3,6H2,1H3
InChIKeyXNRXMZMYSDIHDL-UHFFFAOYSA-N
XLogP1.05
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methoxytriazine
CID 22168417
Ethoxy-triazine
CID 23323025
Triazinyl acetate
CID 129812309
1-Fluoro-3-(2-methylpropoxy)pyrazole
CID 121273344
4-(2,2,2-Trifluoroethoxy)triazine
CID 153681004
Thiomethoxytriazine
CID 129662295
Tricyanomethoxytriazine
CID 129778828
Cyanomethoxytriazine
CID 129798959
4-(Chloromethoxy)triazine
CID 18934300
4-Propoxytriazine
CID 20034771
4-(Triazin-4-yloxy)triazine
CID 21908948
4-Methoxytriazine;hydrochloride
CID 67893253

Frequently Asked Questions

What is the IUPAC name of 4-butoxytriazine?
The IUPAC name of 4-butoxytriazine (CID 19742567) is 4-butoxytriazine.
What is the SMILES notation for 4-butoxytriazine?
The canonical SMILES for 4-butoxytriazine is CCCCOc1ccnnn1.
What is the InChIKey of 4-butoxytriazine?
The InChIKey is XNRXMZMYSDIHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-3-6-11-7-4-5-8-10-9-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-butoxytriazine?
4-butoxytriazine has a molecular weight of 153.19 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxytriazine is sourced from PubChem (CID 19742567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).