3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C12H13ClN4O3 — CID 106528178

IUPAC3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1Cc1cnc(Cl)cn1
InChIInChI=1S/C12H13ClN4O3/c13-9-6-14-8(5-15-9)7-17-10(18)12(16-11(17)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H,16,19)
InChIKeyHQBYCSCIMKFEHA-UHFFFAOYSA-N
MW296.71 g/mol
LogP0.73
Rot. Bonds2

About 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528178) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528178
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1Cc1cnc(Cl)cn1
InChIInChI=1S/C12H13ClN4O3/c13-9-6-14-8(5-15-9)7-17-10(18)12(16-11(17)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H,16,19)
InChIKeyHQBYCSCIMKFEHA-UHFFFAOYSA-N
XLogP0.73
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(5-Chloropyrazin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103054459
3-[(5-Chloropyrazin-2-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 103054461
3-[(5-Chloropyrazin-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 103054462
8-(6-Chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 103186920
8-(5-Chloropyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 103803365
3-[[5-(Methylamino)pyrazin-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528260
3-[(5-Aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528266
3-[(5-Chloropyrazin-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 113769472

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528178) is 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCOCC2)C(=O)N1Cc1cnc(Cl)cn1.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HQBYCSCIMKFEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c13-9-6-14-8(5-15-9)7-17-10(18)12(16-11(17)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H,16,19).
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 296.71 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).