ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride

C10H24Cl2N4Ru — CID 173279674

IUPACruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride
SMILESC1CNCCNCCCNCCNC1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C10H24N4.2ClH.Ru/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;/h11-14H,1-10H2;2*1H;/q;;;+2/p-2
InChIKeyKTNZVJKLWXXYLY-UHFFFAOYSA-L
MW372.31 g/mol
LogP-6.86
Rot. Bonds

About ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride

ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride (PubChem CID 173279674) has the molecular formula C10H24Cl2N4Ru and a molecular weight of 372.31 g/mol. Its IUPAC name is ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride.

Molecular Properties

Compound Nameruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride
PubChem CID173279674
Molecular FormulaC10H24Cl2N4Ru
Molecular Weight372.31 g/mol
Exact Mass372.04
IUPAC Nameruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride
SMILESC1CNCCNCCCNCCNC1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C10H24N4.2ClH.Ru/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;/h11-14H,1-10H2;2*1H;/q;;;+2/p-2
InChIKeyKTNZVJKLWXXYLY-UHFFFAOYSA-L
XLogP-6.86
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 5-6.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride?
The IUPAC name of ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride (CID 173279674) is ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride.
What is the SMILES notation for ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride?
The canonical SMILES for ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride is C1CNCCNCCCNCCNC1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride?
The InChIKey is KTNZVJKLWXXYLY-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H24N4.2ClH.Ru/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;/h11-14H,1-10H2;2*1H;/q;;;+2/p-2.
What are the key properties of ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride?
ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride has a molecular weight of 372.31 g/mol, XLogP of -6.86, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride is sourced from PubChem (CID 173279674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).