2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine

C9H6N6O2 — CID 102034398

IUPAC2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
SMILESC#CCOc1nc(N=[N+]=[N-])nc(OCC#C)n1
InChIInChI=1S/C9H6N6O2/c1-3-5-16-8-11-7(14-15-10)12-9(13-8)17-6-4-2/h1-2H,5-6H2
InChIKeyYHOUEBHKMSQMQR-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.84
Rot. Bonds5

About 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine

2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine (PubChem CID 102034398) has the molecular formula C9H6N6O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
PubChem CID102034398
Molecular FormulaC9H6N6O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
SMILESC#CCOc1nc(N=[N+]=[N-])nc(OCC#C)n1
InChIInChI=1S/C9H6N6O2/c1-3-5-16-8-11-7(14-15-10)12-9(13-8)17-6-4-2/h1-2H,5-6H2
InChIKeyYHOUEBHKMSQMQR-UHFFFAOYSA-N
XLogP0.84
TPSA105.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Stk047125
CID 2827992
2-Azido-4,6-bis(propynyloxy)-1,3,5-triazine
CID 129773881
2,4-Diazido-6-(prop-2-yn-1-yloxy)-1,3,5-triazine
CID 169552851
1,3,5-Triazin-2-amine, 4,6-bis(2-propynyloxy)-
CID 16763088
2-Azido-4,6-diethoxy-1,3,5-triazine
CID 85976016
2-But-3-ynoxy-4,6-bis(prop-2-ynoxy)-1,3,5-triazine
CID 132240255
2,4,6-Tris(but-3-ynoxy)-1,3,5-triazine
CID 154180804
2,4,6-Tris(but-2-ynoxy)-1,3,5-triazine
CID 57373104
2-Chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine
CID 62857198
2-Chloro-4-methoxy-6-prop-2-ynoxy-1,3,5-triazine
CID 62858468
2-Chloro-4-propoxy-6-prop-2-ynoxy-1,3,5-triazine
CID 62870652
4-Propoxy-6-prop-2-ynoxy-1,3,5-triazin-2-amine
CID 80861566

Frequently Asked Questions

What is the IUPAC name of 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine?
The IUPAC name of 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine (CID 102034398) is 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine.
What is the SMILES notation for 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine?
The canonical SMILES for 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine is C#CCOc1nc(N=[N+]=[N-])nc(OCC#C)n1.
What is the InChIKey of 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine?
The InChIKey is YHOUEBHKMSQMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O2/c1-3-5-16-8-11-7(14-15-10)12-9(13-8)17-6-4-2/h1-2H,5-6H2.
What are the key properties of 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine?
2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine has a molecular weight of 230.19 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4,6-bis(prop-2-ynoxy)-1,3,5-triazine is sourced from PubChem (CID 102034398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).