1,4,7,10-tetrazacyclotridecane

C9H22N4 — CID 11478723

IUPAC1,4,7,10-tetrazacyclotridecane
SMILESC1CNCCNCCNCCNC1
InChIInChI=1S/C9H22N4/c1-2-10-4-6-12-8-9-13-7-5-11-3-1/h10-13H,1-9H2
InChIKeyLADZJJOUGVGJHM-UHFFFAOYSA-N
MW186.30 g/mol
LogP-1.25
Rot. Bonds

About 1,4,7,10-tetrazacyclotridecane

1,4,7,10-tetrazacyclotridecane (PubChem CID 11478723) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,4,7,10-tetrazacyclotridecane.

Molecular Properties

Compound Name1,4,7,10-tetrazacyclotridecane
PubChem CID11478723
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1,4,7,10-tetrazacyclotridecane
SMILESC1CNCCNCCNCCNC1
InChIInChI=1S/C9H22N4/c1-2-10-4-6-12-8-9-13-7-5-11-3-1/h10-13H,1-9H2
InChIKeyLADZJJOUGVGJHM-UHFFFAOYSA-N
XLogP-1.25
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetrazacyclotridecane?
The IUPAC name of 1,4,7,10-tetrazacyclotridecane (CID 11478723) is 1,4,7,10-tetrazacyclotridecane.
What is the SMILES notation for 1,4,7,10-tetrazacyclotridecane?
The canonical SMILES for 1,4,7,10-tetrazacyclotridecane is C1CNCCNCCNCCNC1.
What is the InChIKey of 1,4,7,10-tetrazacyclotridecane?
The InChIKey is LADZJJOUGVGJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-2-10-4-6-12-8-9-13-7-5-11-3-1/h10-13H,1-9H2.
What are the key properties of 1,4,7,10-tetrazacyclotridecane?
1,4,7,10-tetrazacyclotridecane has a molecular weight of 186.30 g/mol, XLogP of -1.25, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrazacyclotridecane is sourced from PubChem (CID 11478723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).