1,7,10-triazaspiro[4.5]deca-1,3-diene

C7H11N3 — CID 150440673

IUPAC1,7,10-triazaspiro[4.5]deca-1,3-diene
SMILESC1=CC2(CNCCN2)N=C1
InChIInChI=1S/C7H11N3/c1-2-7(9-3-1)6-8-4-5-10-7/h1-3,8,10H,4-6H2
InChIKeyHLRYHYGBAPVGRH-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.48
Rot. Bonds

About 1,7,10-triazaspiro[4.5]deca-1,3-diene

1,7,10-triazaspiro[4.5]deca-1,3-diene (PubChem CID 150440673) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1,7,10-triazaspiro[4.5]deca-1,3-diene.

Molecular Properties

Compound Name1,7,10-triazaspiro[4.5]deca-1,3-diene
PubChem CID150440673
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1,7,10-triazaspiro[4.5]deca-1,3-diene
SMILESC1=CC2(CNCCN2)N=C1
InChIInChI=1S/C7H11N3/c1-2-7(9-3-1)6-8-4-5-10-7/h1-3,8,10H,4-6H2
InChIKeyHLRYHYGBAPVGRH-UHFFFAOYSA-N
XLogP-0.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,10-triazaspiro[4.5]deca-1,3-diene?
The IUPAC name of 1,7,10-triazaspiro[4.5]deca-1,3-diene (CID 150440673) is 1,7,10-triazaspiro[4.5]deca-1,3-diene.
What is the SMILES notation for 1,7,10-triazaspiro[4.5]deca-1,3-diene?
The canonical SMILES for 1,7,10-triazaspiro[4.5]deca-1,3-diene is C1=CC2(CNCCN2)N=C1.
What is the InChIKey of 1,7,10-triazaspiro[4.5]deca-1,3-diene?
The InChIKey is HLRYHYGBAPVGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-7(9-3-1)6-8-4-5-10-7/h1-3,8,10H,4-6H2.
What are the key properties of 1,7,10-triazaspiro[4.5]deca-1,3-diene?
1,7,10-triazaspiro[4.5]deca-1,3-diene has a molecular weight of 137.19 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,10-triazaspiro[4.5]deca-1,3-diene is sourced from PubChem (CID 150440673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).