1-(3-chloro-4-ethylphenyl)tetrazole

C9H9ClN4 — CID 71114240

IUPAC1-(3-chloro-4-ethylphenyl)tetrazole
SMILESCCc1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C9H9ClN4/c1-2-7-3-4-8(5-9(7)10)14-6-11-12-13-14/h3-6H,2H2,1H3
InChIKeyJAWHTGARKGZCBM-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.88
Rot. Bonds2

About 1-(3-chloro-4-ethylphenyl)tetrazole

1-(3-chloro-4-ethylphenyl)tetrazole (PubChem CID 71114240) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(3-chloro-4-ethylphenyl)tetrazole.

Molecular Properties

Compound Name1-(3-chloro-4-ethylphenyl)tetrazole
PubChem CID71114240
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name1-(3-chloro-4-ethylphenyl)tetrazole
SMILESCCc1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C9H9ClN4/c1-2-7-3-4-8(5-9(7)10)14-6-11-12-13-14/h3-6H,2H2,1H3
InChIKeyJAWHTGARKGZCBM-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-ethylphenyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
2-(3-chloro-4-ethylphenyl)triazole
CID 123159734
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
CID 55780794
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375
1-(3-chloro-4-phenoxyphenyl)tetrazole
CID 16765570
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
CID 81401098
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethylphenyl)tetrazole?
The IUPAC name of 1-(3-chloro-4-ethylphenyl)tetrazole (CID 71114240) is 1-(3-chloro-4-ethylphenyl)tetrazole.
What is the SMILES notation for 1-(3-chloro-4-ethylphenyl)tetrazole?
The canonical SMILES for 1-(3-chloro-4-ethylphenyl)tetrazole is CCc1ccc(-n2cnnn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethylphenyl)tetrazole?
The InChIKey is JAWHTGARKGZCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-2-7-3-4-8(5-9(7)10)14-6-11-12-13-14/h3-6H,2H2,1H3.
What are the key properties of 1-(3-chloro-4-ethylphenyl)tetrazole?
1-(3-chloro-4-ethylphenyl)tetrazole has a molecular weight of 208.65 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethylphenyl)tetrazole is sourced from PubChem (CID 71114240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).