6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene

C6H11N3 — CID 121460088

IUPAC6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene
SMILESCCN1CCC2(C1)N=N2
InChIInChI=1S/C6H11N3/c1-2-9-4-3-6(5-9)7-8-6/h2-5H2,1H3
InChIKeyXMEAYMIOEBSAOD-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.87
Rot. Bonds1

About 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene

6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene (PubChem CID 121460088) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene
PubChem CID121460088
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene
SMILESCCN1CCC2(C1)N=N2
InChIInChI=1S/C6H11N3/c1-2-9-4-3-6(5-9)7-8-6/h2-5H2,1H3
InChIKeyXMEAYMIOEBSAOD-UHFFFAOYSA-N
XLogP0.87
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene?
The IUPAC name of 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene (CID 121460088) is 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene.
What is the SMILES notation for 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene?
The canonical SMILES for 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene is CCN1CCC2(C1)N=N2.
What is the InChIKey of 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene?
The InChIKey is XMEAYMIOEBSAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-9-4-3-6(5-9)7-8-6/h2-5H2,1H3.
What are the key properties of 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene?
6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene has a molecular weight of 125.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene is sourced from PubChem (CID 121460088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).