cobalt;1,4,8,11-tetrazacyclotetradecane

C10H24CoN4 — CID 67843404

IUPACcobalt;1,4,8,11-tetrazacyclotetradecane
SMILESC1CNCCNCCCNCCNC1.[Co]
InChIInChI=1S/C10H24N4.Co/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;
InChIKeyWSYXZDQQKDRMHU-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.86
Rot. Bonds

About cobalt;1,4,8,11-tetrazacyclotetradecane

cobalt;1,4,8,11-tetrazacyclotetradecane (PubChem CID 67843404) has the molecular formula C10H24CoN4 and a molecular weight of 259.26 g/mol. Its IUPAC name is cobalt;1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Namecobalt;1,4,8,11-tetrazacyclotetradecane
PubChem CID67843404
Molecular FormulaC10H24CoN4
Molecular Weight259.26 g/mol
Exact Mass259.13
IUPAC Namecobalt;1,4,8,11-tetrazacyclotetradecane
SMILESC1CNCCNCCCNCCNC1.[Co]
InChIInChI=1S/C10H24N4.Co/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;
InChIKeyWSYXZDQQKDRMHU-UHFFFAOYSA-N
XLogP-0.86
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cobalt;1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of cobalt;1,4,8,11-tetrazacyclotetradecane (CID 67843404) is cobalt;1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for cobalt;1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for cobalt;1,4,8,11-tetrazacyclotetradecane is C1CNCCNCCCNCCNC1.[Co].
What is the InChIKey of cobalt;1,4,8,11-tetrazacyclotetradecane?
The InChIKey is WSYXZDQQKDRMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.Co/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h11-14H,1-10H2;.
What are the key properties of cobalt;1,4,8,11-tetrazacyclotetradecane?
cobalt;1,4,8,11-tetrazacyclotetradecane has a molecular weight of 259.26 g/mol, XLogP of -0.86, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 67843404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).