tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride

C30H30Cl2N12Ru — CID 154703049

IUPACtris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
SMILESNc1ccnc(-c2cc(N)ccn2)c1.Nc1ccnc(-c2cc(N)ccn2)c1.Nc1ccnc(-c2cc(N)ccn2)c1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/3C10H10N4.2ClH.Ru/c3*11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10;;;/h3*1-6H,(H2,11,13)(H2,12,14);2*1H;/q;;;;;+2/p-2
InChIKeyWDDFPDQNZGPCTG-UHFFFAOYSA-L
MW730.63 g/mol
LogP-2.07
Rot. Bonds3

About tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride

tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride (PubChem CID 154703049) has the molecular formula C30H30Cl2N12Ru and a molecular weight of 730.63 g/mol. Its IUPAC name is tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride.

Molecular Properties

Compound Nametris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
PubChem CID154703049
Molecular FormulaC30H30Cl2N12Ru
Molecular Weight730.63 g/mol
Exact Mass730.11
IUPAC Nametris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
SMILESNc1ccnc(-c2cc(N)ccn2)c1.Nc1ccnc(-c2cc(N)ccn2)c1.Nc1ccnc(-c2cc(N)ccn2)c1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/3C10H10N4.2ClH.Ru/c3*11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10;;;/h3*1-6H,(H2,11,13)(H2,12,14);2*1H;/q;;;;;+2/p-2
InChIKeyWDDFPDQNZGPCTG-UHFFFAOYSA-L
XLogP-2.07
TPSA233.46 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.63
LogP ≤ 5-2.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride?
The IUPAC name of tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride (CID 154703049) is tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride.
What is the SMILES notation for tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride?
The canonical SMILES for tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride is Nc1ccnc(-c2cc(N)ccn2)c1.Nc1ccnc(-c2cc(N)ccn2)c1.Nc1ccnc(-c2cc(N)ccn2)c1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride?
The InChIKey is WDDFPDQNZGPCTG-UHFFFAOYSA-L. The full InChI is InChI=1S/3C10H10N4.2ClH.Ru/c3*11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10;;;/h3*1-6H,(H2,11,13)(H2,12,14);2*1H;/q;;;;;+2/p-2.
What are the key properties of tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride?
tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride has a molecular weight of 730.63 g/mol, XLogP of -2.07, 3 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride is sourced from PubChem (CID 154703049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).