1,3,9-triazaspiro[5.5]undeca-1,3-diene

C8H13N3 — CID 59929931

IUPAC1,3,9-triazaspiro[5.5]undeca-1,3-diene
SMILESC1=NC=NC2(C1)CCNCC2
InChIInChI=1S/C8H13N3/c1-4-9-5-2-8(1)3-6-10-7-11-8/h6-7,9H,1-5H2
InChIKeyZFAFLZRMCJIHKS-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.61
Rot. Bonds

About 1,3,9-triazaspiro[5.5]undeca-1,3-diene

1,3,9-triazaspiro[5.5]undeca-1,3-diene (PubChem CID 59929931) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,3,9-triazaspiro[5.5]undeca-1,3-diene.

Molecular Properties

Compound Name1,3,9-triazaspiro[5.5]undeca-1,3-diene
PubChem CID59929931
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,3,9-triazaspiro[5.5]undeca-1,3-diene
SMILESC1=NC=NC2(C1)CCNCC2
InChIInChI=1S/C8H13N3/c1-4-9-5-2-8(1)3-6-10-7-11-8/h6-7,9H,1-5H2
InChIKeyZFAFLZRMCJIHKS-UHFFFAOYSA-N
XLogP0.61
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-azaspiro[2.5]octane;ethane;propane
CID 176979994
2,9-diazaspiro[5.5]undec-2-ene
CID 91606190
7-azaspiro[3.5]nonane;propane
CID 91104176
11-azadispiro[4.2.58.25]pentadecane
CID 114820262
4-N,4-N'-dimethylpiperidine-4,4-diamine
CID 91177983
1-thia-7-azaspiro[3.5]nonane
CID 118209775
3-azaspiro[5.5]undecane;ethane;propane
CID 177188423
2,8-diazaspiro[4.5]dec-1-ene
CID 118457648
spiro[piperidine-4,9'-thioxanthene]
CID 22464014
1,4-dithia-8-azaspiro[4.5]decane;hydrochloride
CID 12954121

Frequently Asked Questions

What is the IUPAC name of 1,3,9-triazaspiro[5.5]undeca-1,3-diene?
The IUPAC name of 1,3,9-triazaspiro[5.5]undeca-1,3-diene (CID 59929931) is 1,3,9-triazaspiro[5.5]undeca-1,3-diene.
What is the SMILES notation for 1,3,9-triazaspiro[5.5]undeca-1,3-diene?
The canonical SMILES for 1,3,9-triazaspiro[5.5]undeca-1,3-diene is C1=NC=NC2(C1)CCNCC2.
What is the InChIKey of 1,3,9-triazaspiro[5.5]undeca-1,3-diene?
The InChIKey is ZFAFLZRMCJIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-9-5-2-8(1)3-6-10-7-11-8/h6-7,9H,1-5H2.
What are the key properties of 1,3,9-triazaspiro[5.5]undeca-1,3-diene?
1,3,9-triazaspiro[5.5]undeca-1,3-diene has a molecular weight of 151.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9-triazaspiro[5.5]undeca-1,3-diene is sourced from PubChem (CID 59929931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).