dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride

C20H17Cl3N4 — CID 155317226

IUPACdichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride
SMILESClCCl.[Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N4.CH2Cl2.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;2-1-3;/h1-15H;1H2;1H/q+1;;/p-1
InChIKeyVUHUBCWPXWSXHO-UHFFFAOYSA-M
MW419.74 g/mol
LogP1.64
Rot. Bonds3

About dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride

dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride (PubChem CID 155317226) has the molecular formula C20H17Cl3N4 and a molecular weight of 419.74 g/mol. Its IUPAC name is dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride.

Molecular Properties

Compound Namedichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride
PubChem CID155317226
Molecular FormulaC20H17Cl3N4
Molecular Weight419.74 g/mol
Exact Mass418.05
IUPAC Namedichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride
SMILESClCCl.[Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1
InChIInChI=1S/C19H15N4.CH2Cl2.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;2-1-3;/h1-15H;1H2;1H/q+1;;/p-1
InChIKeyVUHUBCWPXWSXHO-UHFFFAOYSA-M
XLogP1.64
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.74
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride?
The IUPAC name of dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride (CID 155317226) is dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride.
What is the SMILES notation for dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride?
The canonical SMILES for dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride is ClCCl.[Cl-].c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1.
What is the InChIKey of dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride?
The InChIKey is VUHUBCWPXWSXHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15N4.CH2Cl2.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;2-1-3;/h1-15H;1H2;1H/q+1;;/p-1.
What are the key properties of dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride?
dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride has a molecular weight of 419.74 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride is sourced from PubChem (CID 155317226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).