cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole

C15H12Cl2N4Ti-2 — CID 154434312

IUPACcyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole
SMILESCl[Ti]Cl.c1cc[cH-]c1.c1ccc2[cH-]c(-n3cnnn3)cc2c1
InChIInChI=1S/C10H7N4.C5H5.2ClH.Ti/c1-2-4-9-6-10(5-8(9)3-1)14-7-11-12-13-14;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+2/p-2
InChIKeySDUQBCMNYIMGFG-UHFFFAOYSA-L
MW367.06 g/mol
LogP4.32
Rot. Bonds1

About cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole

cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole (PubChem CID 154434312) has the molecular formula C15H12Cl2N4Ti-2 and a molecular weight of 367.06 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole
PubChem CID154434312
Molecular FormulaC15H12Cl2N4Ti-2
Molecular Weight367.06 g/mol
Exact Mass365.99
IUPAC Namecyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole
SMILESCl[Ti]Cl.c1cc[cH-]c1.c1ccc2[cH-]c(-n3cnnn3)cc2c1
InChIInChI=1S/C10H7N4.C5H5.2ClH.Ti/c1-2-4-9-6-10(5-8(9)3-1)14-7-11-12-13-14;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+2/p-2
InChIKeySDUQBCMNYIMGFG-UHFFFAOYSA-L
XLogP4.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole?
The IUPAC name of cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole (CID 154434312) is cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole.
What is the SMILES notation for cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole?
The canonical SMILES for cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole is Cl[Ti]Cl.c1cc[cH-]c1.c1ccc2[cH-]c(-n3cnnn3)cc2c1.
What is the InChIKey of cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole?
The InChIKey is SDUQBCMNYIMGFG-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7N4.C5H5.2ClH.Ti/c1-2-4-9-6-10(5-8(9)3-1)14-7-11-12-13-14;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole?
cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole has a molecular weight of 367.06 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole is sourced from PubChem (CID 154434312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).