6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane

C9H11Cl2N5 — CID 156531514

IUPAC6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane
SMILESClc1nnc(Cl)c(N2CCC3(CNC3)C2)n1
InChIInChI=1S/C9H11Cl2N5/c10-6-7(13-8(11)15-14-6)16-2-1-9(5-16)3-12-4-9/h12H,1-5H2
InChIKeyHFAYRPUUVHLIER-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.98
Rot. Bonds1

About 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane

6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane (PubChem CID 156531514) has the molecular formula C9H11Cl2N5 and a molecular weight of 260.13 g/mol. Its IUPAC name is 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Name6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane
PubChem CID156531514
Molecular FormulaC9H11Cl2N5
Molecular Weight260.13 g/mol
Exact Mass259.04
IUPAC Name6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane
SMILESClc1nnc(Cl)c(N2CCC3(CNC3)C2)n1
InChIInChI=1S/C9H11Cl2N5/c10-6-7(13-8(11)15-14-6)16-2-1-9(5-16)3-12-4-9/h12H,1-5H2
InChIKeyHFAYRPUUVHLIER-UHFFFAOYSA-N
XLogP0.98
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane?
The IUPAC name of 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane (CID 156531514) is 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane?
The canonical SMILES for 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane is Clc1nnc(Cl)c(N2CCC3(CNC3)C2)n1.
What is the InChIKey of 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane?
The InChIKey is HFAYRPUUVHLIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N5/c10-6-7(13-8(11)15-14-6)16-2-1-9(5-16)3-12-4-9/h12H,1-5H2.
What are the key properties of 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane?
6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane has a molecular weight of 260.13 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dichloro-1,2,4-triazin-5-yl)-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 156531514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).