1,4,8,11-tetrazacyclotetradecane;trichlorocobalt

C10H24Cl3CoN4 — CID 67603333

IUPAC1,4,8,11-tetrazacyclotetradecane;trichlorocobalt
SMILESC1CNCCNCCCNCCNC1.Cl[Co](Cl)Cl
InChIInChI=1S/C10H24N4.3ClH.Co/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;/h11-14H,1-10H2;3*1H;/q;;;;+3/p-3
InChIKeyIRBKPJQUQYXDIW-UHFFFAOYSA-K
MW365.62 g/mol
LogP1.20
Rot. Bonds

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

1,4,8,11-tetrazacyclotetradecane;trichlorocobalt (PubChem CID 67603333) has the molecular formula C10H24Cl3CoN4 and a molecular weight of 365.62 g/mol. Its IUPAC name is 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt.

Molecular Properties

Compound Name1,4,8,11-tetrazacyclotetradecane;trichlorocobalt
PubChem CID67603333
Molecular FormulaC10H24Cl3CoN4
Molecular Weight365.62 g/mol
Exact Mass364.04
IUPAC Name1,4,8,11-tetrazacyclotetradecane;trichlorocobalt
SMILESC1CNCCNCCCNCCNC1.Cl[Co](Cl)Cl
InChIInChI=1S/C10H24N4.3ClH.Co/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;/h11-14H,1-10H2;3*1H;/q;;;;+3/p-3
InChIKeyIRBKPJQUQYXDIW-UHFFFAOYSA-K
XLogP1.20
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.62
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt?
The IUPAC name of 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt (CID 67603333) is 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt.
What is the SMILES notation for 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt?
The canonical SMILES for 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt is C1CNCCNCCCNCCNC1.Cl[Co](Cl)Cl.
What is the InChIKey of 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt?
The InChIKey is IRBKPJQUQYXDIW-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H24N4.3ClH.Co/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;/h11-14H,1-10H2;3*1H;/q;;;;+3/p-3.
What are the key properties of 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt?
1,4,8,11-tetrazacyclotetradecane;trichlorocobalt has a molecular weight of 365.62 g/mol, XLogP of 1.20, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetrazacyclotetradecane;trichlorocobalt is sourced from PubChem (CID 67603333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).