2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine

C10H15N7O — CID 3896639

IUPAC2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCCOc1nc(N=[N+]=[N-])nc(N2CCCCC2)n1
InChIInChI=1S/C10H15N7O/c1-2-18-10-13-8(15-16-11)12-9(14-10)17-6-4-3-5-7-17/h2-7H2,1H3
InChIKeySUVXWLDZKGGAJK-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.20
Rot. Bonds4

About 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine

2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 3896639) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine
PubChem CID3896639
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine
SMILESCCOc1nc(N=[N+]=[N-])nc(N2CCCCC2)n1
InChIInChI=1S/C10H15N7O/c1-2-18-10-13-8(15-16-11)12-9(14-10)17-6-4-3-5-7-17/h2-7H2,1H3
InChIKeySUVXWLDZKGGAJK-UHFFFAOYSA-N
XLogP2.20
TPSA99.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine (CID 3896639) is 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine is CCOc1nc(N=[N+]=[N-])nc(N2CCCCC2)n1.
What is the InChIKey of 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is SUVXWLDZKGGAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-2-18-10-13-8(15-16-11)12-9(14-10)17-6-4-3-5-7-17/h2-7H2,1H3.
What are the key properties of 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine?
2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 249.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 3896639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).