5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole

C10H10Cl2N4 — CID 103084325

IUPAC5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2C(C)Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N4/c1-6-3-4-9(8(12)5-6)16-10(7(2)11)13-14-15-16/h3-5,7H,1-2H3
InChIKeyXVPIYZPGKPPDCH-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.92
Rot. Bonds2

About 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole

5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole (PubChem CID 103084325) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole
PubChem CID103084325
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2C(C)Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N4/c1-6-3-4-9(8(12)5-6)16-10(7(2)11)13-14-15-16/h3-5,7H,1-2H3
InChIKeyXVPIYZPGKPPDCH-UHFFFAOYSA-N
XLogP2.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084794
1-(2-bromo-3-methylphenyl)-5-(1-chloroethyl)tetrazole
CID 103084623
N-[1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084976
1-(2-chloro-4-methylphenyl)-5-methyltriazol-4-amine
CID 79501030
5-(1-chloroethyl)-1-(2-phenylphenyl)tetrazole
CID 103084274
4-(2-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole
CID 142902861
1-(2-chloro-4,6-difluorophenyl)-5-(1-chloroethyl)tetrazole
CID 103084640
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
2-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65455837
5-(1-chloroethyl)-1-(2,4,6-trifluorophenyl)tetrazole
CID 103084581
5-(1-chloroethyl)-1-[2-(methoxymethyl)phenyl]tetrazole
CID 103084345
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084978

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole (CID 103084325) is 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2C(C)Cl)c(Cl)c1.
What is the InChIKey of 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole?
The InChIKey is XVPIYZPGKPPDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c1-6-3-4-9(8(12)5-6)16-10(7(2)11)13-14-15-16/h3-5,7H,1-2H3.
What are the key properties of 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole?
5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole has a molecular weight of 257.12 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-(2-chloro-4-methylphenyl)tetrazole is sourced from PubChem (CID 103084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).