2,7,8-triazaspiro[4.5]dec-7-ene

C7H13N3 — CID 91067266

IUPAC2,7,8-triazaspiro[4.5]dec-7-ene
SMILESC1CC2(CCNC2)CN=N1
InChIInChI=1S/C7H13N3/c1-3-8-5-7(1)2-4-9-10-6-7/h8H,1-6H2
InChIKeyPUWZOKZBJRXTJJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.82
Rot. Bonds

About 2,7,8-triazaspiro[4.5]dec-7-ene

2,7,8-triazaspiro[4.5]dec-7-ene (PubChem CID 91067266) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,7,8-triazaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name2,7,8-triazaspiro[4.5]dec-7-ene
PubChem CID91067266
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2,7,8-triazaspiro[4.5]dec-7-ene
SMILESC1CC2(CCNC2)CN=N1
InChIInChI=1S/C7H13N3/c1-3-8-5-7(1)2-4-9-10-6-7/h8H,1-6H2
InChIKeyPUWZOKZBJRXTJJ-UHFFFAOYSA-N
XLogP0.82
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-diazaspiro[4.5]dec-7-ene
CID 91049043
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
2,7-diazaspiro[3.4]octane;propane
CID 177136819
2,9-diazaspiro[4.5]decane;methane
CID 143578856
2-azaspiro[4.5]decane;ethene
CID 171834081
(5R,8S)-2-azaspiro[4.4]nonan-8-amine
CID 97168804
2-azaspiro[4.4]nonan-8-amine
CID 71649078
2-azaspiro[3.3]heptane;5-azaspiro[2.4]heptane
CID 170601553
2-sulfanyl-2,7-diazaspiro[3.4]octane
CID 146741021

Frequently Asked Questions

What is the IUPAC name of 2,7,8-triazaspiro[4.5]dec-7-ene?
The IUPAC name of 2,7,8-triazaspiro[4.5]dec-7-ene (CID 91067266) is 2,7,8-triazaspiro[4.5]dec-7-ene.
What is the SMILES notation for 2,7,8-triazaspiro[4.5]dec-7-ene?
The canonical SMILES for 2,7,8-triazaspiro[4.5]dec-7-ene is C1CC2(CCNC2)CN=N1.
What is the InChIKey of 2,7,8-triazaspiro[4.5]dec-7-ene?
The InChIKey is PUWZOKZBJRXTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-8-5-7(1)2-4-9-10-6-7/h8H,1-6H2.
What are the key properties of 2,7,8-triazaspiro[4.5]dec-7-ene?
2,7,8-triazaspiro[4.5]dec-7-ene has a molecular weight of 139.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-triazaspiro[4.5]dec-7-ene is sourced from PubChem (CID 91067266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).