4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C10H12Cl2N4O — CID 81037990

IUPAC4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESClc1nnc(Cl)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C10H12Cl2N4O/c11-8-9(13-10(12)15-14-8)16-4-5-17-7-3-1-2-6(7)16/h6-7H,1-5H2
InChIKeyZZSACNOLWKSIJL-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.94
Rot. Bonds1

About 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 81037990) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID81037990
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Name4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESClc1nnc(Cl)c(N2CCOC3CCCC32)n1
InChIInChI=1S/C10H12Cl2N4O/c11-8-9(13-10(12)15-14-8)16-4-5-17-7-3-1-2-6(7)16/h6-7H,1-5H2
InChIKeyZZSACNOLWKSIJL-UHFFFAOYSA-N
XLogP1.94
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 81037990) is 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is Clc1nnc(Cl)c(N2CCOC3CCCC32)n1.
What is the InChIKey of 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is ZZSACNOLWKSIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O/c11-8-9(13-10(12)15-14-8)16-4-5-17-7-3-1-2-6(7)16/h6-7H,1-5H2.
What are the key properties of 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 275.14 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 81037990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).