1,7-diazaspiro[2.4]hepta-1,4,6-triene

C5H4N2 — CID 45140632

IUPAC1,7-diazaspiro[2.4]hepta-1,4,6-triene
SMILESC1=CC2(C=N2)N=C1
InChIInChI=1S/C5H4N2/c1-2-5(4-7-5)6-3-1/h1-4H
InChIKeyYZLNGIFVXGJRMR-UHFFFAOYSA-N
MW92.10 g/mol
LogP0.41
Rot. Bonds

About 1,7-diazaspiro[2.4]hepta-1,4,6-triene

1,7-diazaspiro[2.4]hepta-1,4,6-triene (PubChem CID 45140632) has the molecular formula C5H4N2 and a molecular weight of 92.10 g/mol. Its IUPAC name is 1,7-diazaspiro[2.4]hepta-1,4,6-triene.

Molecular Properties

Compound Name1,7-diazaspiro[2.4]hepta-1,4,6-triene
PubChem CID45140632
Molecular FormulaC5H4N2
Molecular Weight92.10 g/mol
Exact Mass92.04
IUPAC Name1,7-diazaspiro[2.4]hepta-1,4,6-triene
SMILESC1=CC2(C=N2)N=C1
InChIInChI=1S/C5H4N2/c1-2-5(4-7-5)6-3-1/h1-4H
InChIKeyYZLNGIFVXGJRMR-UHFFFAOYSA-N
XLogP0.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[2.4]hepta-1,4,6-triene?
The IUPAC name of 1,7-diazaspiro[2.4]hepta-1,4,6-triene (CID 45140632) is 1,7-diazaspiro[2.4]hepta-1,4,6-triene.
What is the SMILES notation for 1,7-diazaspiro[2.4]hepta-1,4,6-triene?
The canonical SMILES for 1,7-diazaspiro[2.4]hepta-1,4,6-triene is C1=CC2(C=N2)N=C1.
What is the InChIKey of 1,7-diazaspiro[2.4]hepta-1,4,6-triene?
The InChIKey is YZLNGIFVXGJRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2/c1-2-5(4-7-5)6-3-1/h1-4H.
What are the key properties of 1,7-diazaspiro[2.4]hepta-1,4,6-triene?
1,7-diazaspiro[2.4]hepta-1,4,6-triene has a molecular weight of 92.10 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[2.4]hepta-1,4,6-triene is sourced from PubChem (CID 45140632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).