5-(3,5-dichlorophenyl)-2-methyltetrazole

C8H6Cl2N4 — CID 2730559

IUPAC5-(3,5-dichlorophenyl)-2-methyltetrazole
SMILESCn1nnc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C8H6Cl2N4/c1-14-12-8(11-13-14)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKeyQBDAIMKWEJQBHA-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.18
Rot. Bonds1

About 5-(3,5-dichlorophenyl)-2-methyltetrazole

5-(3,5-dichlorophenyl)-2-methyltetrazole (PubChem CID 2730559) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-methyltetrazole
PubChem CID2730559
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name5-(3,5-dichlorophenyl)-2-methyltetrazole
SMILESCn1nnc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C8H6Cl2N4/c1-14-12-8(11-13-14)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKeyQBDAIMKWEJQBHA-UHFFFAOYSA-N
XLogP2.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-methyltetrazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-methyltetrazole (CID 2730559) is 5-(3,5-dichlorophenyl)-2-methyltetrazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-methyltetrazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-methyltetrazole is Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-methyltetrazole?
The InChIKey is QBDAIMKWEJQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c1-14-12-8(11-13-14)5-2-6(9)4-7(10)3-5/h2-4H,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-2-methyltetrazole?
5-(3,5-dichlorophenyl)-2-methyltetrazole has a molecular weight of 229.07 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-methyltetrazole is sourced from PubChem (CID 2730559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).