1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate

C19H20N4O5Pd — CID 139177295

IUPAC1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.[Pd+2].c1ccc2c(c1)cnn2Cn1ncc2ccccc21
InChIInChI=1S/C15H12N4.2C2H4O2.H2O.Pd/c1-3-7-14-12(5-1)9-16-18(14)11-19-15-8-4-2-6-13(15)10-17-19;2*1-2(3)4;;/h1-10H,11H2;2*1H3,(H,3,4);1H2;/q;;;;+2/p-2
InChIKeyWCCAAKYCTRUMON-UHFFFAOYSA-L
MW490.81 g/mol
LogP-0.42
Rot. Bonds2

About 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate

1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate (PubChem CID 139177295) has the molecular formula C19H20N4O5Pd and a molecular weight of 490.81 g/mol. Its IUPAC name is 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate.

Molecular Properties

Compound Name1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate
PubChem CID139177295
Molecular FormulaC19H20N4O5Pd
Molecular Weight490.81 g/mol
Exact Mass490.05
IUPAC Name1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.[Pd+2].c1ccc2c(c1)cnn2Cn1ncc2ccccc21
InChIInChI=1S/C15H12N4.2C2H4O2.H2O.Pd/c1-3-7-14-12(5-1)9-16-18(14)11-19-15-8-4-2-6-13(15)10-17-19;2*1-2(3)4;;/h1-10H,11H2;2*1H3,(H,3,4);1H2;/q;;;;+2/p-2
InChIKeyWCCAAKYCTRUMON-UHFFFAOYSA-L
XLogP-0.42
TPSA147.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.81
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,6-Bis(indazol-1-yl)-1,2,4,5-tetrazine
CID 129872737
Bis(indazol-1-yl)phenylmethane
CID 14116638
Bis(indazol-1-yl)methane
CID 15147449
Bis(2-benzodiazolyl)methane
CID 21609283
1-[(2-Fluorophenyl)-indazol-1-ylmethyl]indazole
CID 14962535
1-[(4-Fluorophenyl)-indazol-1-ylmethyl]indazole
CID 14962536
Bis(indazol-1-yl)pyridin-2-ylmethane
CID 85698761
2,2'-(Propane-1,3-diyl)bis(2H-indazole)
CID 123202156
Silver;bis(1-(indazol-1-ylmethyl)indazole);perchlorate
CID 139196873
1,4-Bis(indazol-2-yl)butane
CID 177866631
1,4-Bis(indazol-1-yl)butane
CID 177866632
1-(Indazol-1-yl)-4-(indazol-2-yl)butane
CID 177866636

Frequently Asked Questions

What is the IUPAC name of 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate?
The IUPAC name of 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate (CID 139177295) is 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate.
What is the SMILES notation for 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate?
The canonical SMILES for 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate is CC(=O)[O-].CC(=O)[O-].O.[Pd+2].c1ccc2c(c1)cnn2Cn1ncc2ccccc21.
What is the InChIKey of 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate?
The InChIKey is WCCAAKYCTRUMON-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H12N4.2C2H4O2.H2O.Pd/c1-3-7-14-12(5-1)9-16-18(14)11-19-15-8-4-2-6-13(15)10-17-19;2*1-2(3)4;;/h1-10H,11H2;2*1H3,(H,3,4);1H2;/q;;;;+2/p-2.
What are the key properties of 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate?
1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate has a molecular weight of 490.81 g/mol, XLogP of -0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(indazol-1-ylmethyl)indazole;palladium(2+);diacetate;hydrate is sourced from PubChem (CID 139177295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).