5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole

C8H6Cl2N4 — CID 2735973

IUPAC5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole
SMILESClc1cccc(Cl)c1Cc1nn[nH]n1
InChIInChI=1S/C8H6Cl2N4/c9-6-2-1-3-7(10)5(6)4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKeyNDMAQUNWOYUOGS-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.10
Rot. Bonds2

About 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole

5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole (PubChem CID 2735973) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole
PubChem CID2735973
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole
SMILESClc1cccc(Cl)c1Cc1nn[nH]n1
InChIInChI=1S/C8H6Cl2N4/c9-6-2-1-3-7(10)5(6)4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKeyNDMAQUNWOYUOGS-UHFFFAOYSA-N
XLogP2.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole (CID 2735973) is 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole is Clc1cccc(Cl)c1Cc1nn[nH]n1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole?
The InChIKey is NDMAQUNWOYUOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c9-6-2-1-3-7(10)5(6)4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14).
What are the key properties of 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole?
5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole has a molecular weight of 229.07 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 2735973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).