2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine

C6H13N3 — CID 54477771

IUPAC2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine
SMILESC1=N\CCNCCNC/1
InChIInChI=1S/C6H13N3/c1-2-8-5-6-9-4-3-7-1/h1,8-9H,2-6H2/b7-1-
InChIKeyXMUIKZODBRYDCK-XFSBKJJWSA-N
MW127.19 g/mol
LogP-0.75
Rot. Bonds

About 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine

2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine (PubChem CID 54477771) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine.

Molecular Properties

Compound Name2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine
PubChem CID54477771
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine
SMILESC1=N\CCNCCNC/1
InChIInChI=1S/C6H13N3/c1-2-8-5-6-9-4-3-7-1/h1,8-9H,2-6H2/b7-1-
InChIKeyXMUIKZODBRYDCK-XFSBKJJWSA-N
XLogP-0.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine?
The IUPAC name of 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine (CID 54477771) is 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine.
What is the SMILES notation for 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine?
The canonical SMILES for 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine is C1=N\CCNCCNC/1.
What is the InChIKey of 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine?
The InChIKey is XMUIKZODBRYDCK-XFSBKJJWSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-8-5-6-9-4-3-7-1/h1,8-9H,2-6H2/b7-1-.
What are the key properties of 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine?
2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine has a molecular weight of 127.19 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,9-hexahydro-1H-1,4,7-triazonine is sourced from PubChem (CID 54477771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).