6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine

C10H15ClN6 — CID 118166265

IUPAC6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCCC3(CNC3)C2)nnc1Cl
InChIInChI=1S/C10H15ClN6/c11-7-8(12)14-9(16-15-7)17-3-1-2-10(6-17)4-13-5-10/h13H,1-6H2,(H2,12,14,16)
InChIKeyYAFUIXGVNSEIAX-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.30
Rot. Bonds1

About 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine

6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine (PubChem CID 118166265) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine
PubChem CID118166265
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC Name6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine
SMILESNc1nc(N2CCCC3(CNC3)C2)nnc1Cl
InChIInChI=1S/C10H15ClN6/c11-7-8(12)14-9(16-15-7)17-3-1-2-10(6-17)4-13-5-10/h13H,1-6H2,(H2,12,14,16)
InChIKeyYAFUIXGVNSEIAX-UHFFFAOYSA-N
XLogP0.30
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine (CID 118166265) is 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine is Nc1nc(N2CCCC3(CNC3)C2)nnc1Cl.
What is the InChIKey of 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine?
The InChIKey is YAFUIXGVNSEIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c11-7-8(12)14-9(16-15-7)17-3-1-2-10(6-17)4-13-5-10/h13H,1-6H2,(H2,12,14,16).
What are the key properties of 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine?
6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine has a molecular weight of 254.72 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,6-diazaspiro[3.5]nonan-6-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 118166265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).