3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane

C12H17ClN4O3 — CID 102930630

IUPAC3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1nc(Cl)nc(OC2COC3(CCNCC3)C2)n1
InChIInChI=1S/C12H17ClN4O3/c1-18-10-15-9(13)16-11(17-10)20-8-6-12(19-7-8)2-4-14-5-3-12/h8,14H,2-7H2,1H3
InChIKeyUUVNOXYUKVNMOM-UHFFFAOYSA-N
MW300.75 g/mol
LogP0.82
Rot. Bonds3

About 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930630) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930630
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1nc(Cl)nc(OC2COC3(CCNCC3)C2)n1
InChIInChI=1S/C12H17ClN4O3/c1-18-10-15-9(13)16-11(17-10)20-8-6-12(19-7-8)2-4-14-5-3-12/h8,14H,2-7H2,1H3
InChIKeyUUVNOXYUKVNMOM-UHFFFAOYSA-N
XLogP0.82
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930630) is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane is COc1nc(Cl)nc(OC2COC3(CCNCC3)C2)n1.
What is the InChIKey of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is UUVNOXYUKVNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3/c1-18-10-15-9(13)16-11(17-10)20-8-6-12(19-7-8)2-4-14-5-3-12/h8,14H,2-7H2,1H3.
What are the key properties of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 300.75 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).