3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine

C6H9ClN6 — CID 118165976

IUPAC3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
SMILESNc1nc(N2CC(N)C2)nnc1Cl
InChIInChI=1S/C6H9ClN6/c7-4-5(9)10-6(12-11-4)13-1-3(8)2-13/h3H,1-2,8H2,(H2,9,10,12)
InChIKeyVTKGKQVDWUWOCG-UHFFFAOYSA-N
MW200.63 g/mol
LogP-0.75
Rot. Bonds1

About 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine

3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine (PubChem CID 118165976) has the molecular formula C6H9ClN6 and a molecular weight of 200.63 g/mol. Its IUPAC name is 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
PubChem CID118165976
Molecular FormulaC6H9ClN6
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC Name3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine
SMILESNc1nc(N2CC(N)C2)nnc1Cl
InChIInChI=1S/C6H9ClN6/c7-4-5(9)10-6(12-11-4)13-1-3(8)2-13/h3H,1-2,8H2,(H2,9,10,12)
InChIKeyVTKGKQVDWUWOCG-UHFFFAOYSA-N
XLogP-0.75
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine (CID 118165976) is 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine is Nc1nc(N2CC(N)C2)nnc1Cl.
What is the InChIKey of 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
The InChIKey is VTKGKQVDWUWOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN6/c7-4-5(9)10-6(12-11-4)13-1-3(8)2-13/h3H,1-2,8H2,(H2,9,10,12).
What are the key properties of 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine?
3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine has a molecular weight of 200.63 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoazetidin-1-yl)-6-chloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 118165976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).