5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole

C15H10Cl2N8 — CID 3090522

IUPAC5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole
SMILESClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H10Cl2N8/c16-15(17,13-18-20-22-24(13)11-7-3-1-4-8-11)14-19-21-23-25(14)12-9-5-2-6-10-12/h1-10H
InChIKeyLHPSJUQKLJEKHT-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.32
Rot. Bonds4

About 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole

5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole (PubChem CID 3090522) has the molecular formula C15H10Cl2N8 and a molecular weight of 373.21 g/mol. Its IUPAC name is 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole
PubChem CID3090522
Molecular FormulaC15H10Cl2N8
Molecular Weight373.21 g/mol
Exact Mass372.04
IUPAC Name5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole
SMILESClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H10Cl2N8/c16-15(17,13-18-20-22-24(13)11-7-3-1-4-8-11)14-19-21-23-25(14)12-9-5-2-6-10-12/h1-10H
InChIKeyLHPSJUQKLJEKHT-UHFFFAOYSA-N
XLogP2.32
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[Dichloro-[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1-(4-methylphenyl)tetrazole
CID 3090520
5-[Chloro-[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1-(4-methylphenyl)tetrazole
CID 7172585
5,5'-dithiobis(1-phenyl-1H-tetrazole)
CID 78795
1-Phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-(chloromethyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 2793409
1H-Tetrazole, 5-ethyl-1-phenyl-
CID 206251
1,1'-Diphenyl-5,5'-azotetrazole
CID 6441634
5,5'-Bi-1H-tetrazole, 1,1'-diphenyl-
CID 419191
5-{dichloro[1-(2-methylphenyl)-1H-tetraazol-5-yl]methyl}-1-(2-methylphenyl)-1H-tetraazole
CID 3093546
5-(1-chloroethyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 42958595
5-(2-Chloroethyl)-1-phenyl-1H-tetrazole
CID 45791475
Cambridge id 5530708
CID 2850292

Frequently Asked Questions

What is the IUPAC name of 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole?
The IUPAC name of 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole (CID 3090522) is 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole is ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1.
What is the InChIKey of 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole?
The InChIKey is LHPSJUQKLJEKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N8/c16-15(17,13-18-20-22-24(13)11-7-3-1-4-8-11)14-19-21-23-25(14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole?
5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole has a molecular weight of 373.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dichloro-(1-phenyltetrazol-5-yl)methyl]-1-phenyltetrazole is sourced from PubChem (CID 3090522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).