2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole

C14H10Cl2N4 — CID 685580

IUPAC2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole
SMILESClc1ccc(Cn2nnc(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C14H10Cl2N4/c15-12-7-6-10(8-13(12)16)9-20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyYRYLYTHPXWTYFQ-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.70
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole

2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole (PubChem CID 685580) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole
PubChem CID685580
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole
SMILESClc1ccc(Cn2nnc(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C14H10Cl2N4/c15-12-7-6-10(8-13(12)16)9-20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyYRYLYTHPXWTYFQ-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole (CID 685580) is 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole is Clc1ccc(Cn2nnc(-c3ccccc3)n2)cc1Cl.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole?
The InChIKey is YRYLYTHPXWTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-12-7-6-10(8-13(12)16)9-20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole?
2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole has a molecular weight of 305.17 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-5-phenyltetrazole is sourced from PubChem (CID 685580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).