N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium

C40H34N10Ru — CID 140599364

IUPACN,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCN(C)c1ccc(-c2cn(-c3ccnc(-c4ccccn4)c3)nn2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H18N6.2C10H8N2.Ru/c1-25(2)16-8-6-15(7-9-16)20-14-26(24-23-20)17-10-12-22-19(13-17)18-5-3-4-11-21-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-14H,1-2H3;2*1-8H;
InChIKeyQDRCCVVHLQSFIK-UHFFFAOYSA-N
MW755.85 g/mol
LogP7.74
Rot. Bonds6

About N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium

N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 140599364) has the molecular formula C40H34N10Ru and a molecular weight of 755.85 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID140599364
Molecular FormulaC40H34N10Ru
Molecular Weight755.85 g/mol
Exact Mass756.20
IUPAC NameN,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCN(C)c1ccc(-c2cn(-c3ccnc(-c4ccccn4)c3)nn2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H18N6.2C10H8N2.Ru/c1-25(2)16-8-6-15(7-9-16)20-14-26(24-23-20)17-10-12-22-19(13-17)18-5-3-4-11-21-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-14H,1-2H3;2*1-8H;
InChIKeyQDRCCVVHLQSFIK-UHFFFAOYSA-N
XLogP7.74
TPSA111.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.85
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine
CID 162676607
4-[4-(4-Dodecyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162643193
3-[1-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]triazol-4-yl]-9-octylcarbazole
CID 162659787
US10189845, Example 135
CID 121390915
US11242343, Example 28
CID 134327579
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]-2-methylindol-3-yl]-phenylmethyl]-2-methylindole
CID 44583480
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
Ru(II)(bpy)2(Mebpy-cyclam-2H+)
CID 16683895

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium (CID 140599364) is N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium is CN(C)c1ccc(-c2cn(-c3ccnc(-c4ccccn4)c3)nn2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is QDRCCVVHLQSFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6.2C10H8N2.Ru/c1-25(2)16-8-6-15(7-9-16)20-14-26(24-23-20)17-10-12-22-19(13-17)18-5-3-4-11-21-18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-14H,1-2H3;2*1-8H;.
What are the key properties of N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium?
N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 755.85 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2-pyridin-2-yl-4-pyridinyl)triazol-4-yl]aniline;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 140599364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).