2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine

C12H16N6O3 — CID 22323662

IUPAC2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(OCCCN=[N+]=[N-])n1
InChIInChI=1S/C12H16N6O3/c1-3-7-19-10-15-11(20-8-4-2)17-12(16-10)21-9-5-6-14-18-13/h3-4H,1-2,5-9H2
InChIKeyHILGUOXMKDBCKJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.08
Rot. Bonds11

About 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine

2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine (PubChem CID 22323662) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
PubChem CID22323662
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(OCCCN=[N+]=[N-])n1
InChIInChI=1S/C12H16N6O3/c1-3-7-19-10-15-11(20-8-4-2)17-12(16-10)21-9-5-6-14-18-13/h3-4H,1-2,5-9H2
InChIKeyHILGUOXMKDBCKJ-UHFFFAOYSA-N
XLogP2.08
TPSA115.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine with MolForge

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Related Compounds

Triallyl cyanurate
CID 7555
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
4-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
6-allyloxy-4-azido-N,N-dimethyl-1,3,5-triazin-2-amine
CID 129873337
2,4-Bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine
CID 59087621
N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303278
4,6-bis(prop-2-enoxy)-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 89303320
Sulfane;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
CID 135237149
3-[[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]propanenitrile
CID 139891100
Ethene;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
CID 143659379
2-Ethoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine;propane
CID 172334191

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The IUPAC name of 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine (CID 22323662) is 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OCC=C)nc(OCCCN=[N+]=[N-])n1.
What is the InChIKey of 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The InChIKey is HILGUOXMKDBCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-3-7-19-10-15-11(20-8-4-2)17-12(16-10)21-9-5-6-14-18-13/h3-4H,1-2,5-9H2.
What are the key properties of 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 292.30 g/mol, XLogP of 2.08, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropoxy)-4,6-bis(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 22323662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).