1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane

C7H16N6 — CID 158521253

IUPAC1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane
SMILESCN1CN(C)CN(CCN=[N+]=[N-])C1
InChIInChI=1S/C7H16N6/c1-11-5-12(2)7-13(6-11)4-3-9-10-8/h3-7H2,1-2H3
InChIKeyNFKHXKFZDLLHIR-UHFFFAOYSA-N
MW184.25 g/mol
LogP0.35
Rot. Bonds3

About 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane

1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane (PubChem CID 158521253) has the molecular formula C7H16N6 and a molecular weight of 184.25 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane.

Molecular Properties

Compound Name1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane
PubChem CID158521253
Molecular FormulaC7H16N6
Molecular Weight184.25 g/mol
Exact Mass184.14
IUPAC Name1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane
SMILESCN1CN(C)CN(CCN=[N+]=[N-])C1
InChIInChI=1S/C7H16N6/c1-11-5-12(2)7-13(6-11)4-3-9-10-8/h3-7H2,1-2H3
InChIKeyNFKHXKFZDLLHIR-UHFFFAOYSA-N
XLogP0.35
TPSA58.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane?
The IUPAC name of 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane (CID 158521253) is 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane.
What is the SMILES notation for 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane?
The canonical SMILES for 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane is CN1CN(C)CN(CCN=[N+]=[N-])C1.
What is the InChIKey of 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane?
The InChIKey is NFKHXKFZDLLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6/c1-11-5-12(2)7-13(6-11)4-3-9-10-8/h3-7H2,1-2H3.
What are the key properties of 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane?
1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane has a molecular weight of 184.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane is sourced from PubChem (CID 158521253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).