ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate

C13H16N4O2 — CID 22343049

IUPACethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
SMILESCCOC(=O)CCn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4O2/c1-3-19-12(18)8-9-17-15-13(14-16-17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyHICYNEYGISICOB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.60
Rot. Bonds5

About ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate

ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate (PubChem CID 22343049) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
PubChem CID22343049
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
SMILESCCOC(=O)CCn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N4O2/c1-3-19-12(18)8-9-17-15-13(14-16-17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyHICYNEYGISICOB-UHFFFAOYSA-N
XLogP1.60
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate 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

2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanoic acid
CID 2892535
Ethyl (5-phenyl-2H-tetrazol-2-yl)acetate
CID 583011
2-(5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 701825
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 1086563
3-[5-(4-Isopropyl-phenyl)-tetrazol-2-yl]-propionic acid methyl ester
CID 644796
3-[5-(4-Ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester
CID 647427
3-[5-(4-Isopropyl-phenyl)-tetrazol-2-yl]-propionic acid
CID 651433
(5-Phenyl-tetrazol-2-yl)-acetic acid isopropyl ester
CID 2902401
3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid
CID 845287
3-(5-p-Tolyl-tetrazol-2-yl)-propionic acid methyl ester
CID 654834
Ethyl 3-(5-phenyltetrazol-2-yl)propanoate
CID 43365476
ethyl (Z)-3-(5-phenyltetrazol-2-yl)prop-2-enoate
CID 44589601

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate?
The IUPAC name of ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate (CID 22343049) is ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate?
The canonical SMILES for ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate is CCOC(=O)CCn1nnc(-c2ccc(C)cc2)n1.
What is the InChIKey of ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate?
The InChIKey is HICYNEYGISICOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-12(18)8-9-17-15-13(14-16-17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate?
ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate has a molecular weight of 260.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate is sourced from PubChem (CID 22343049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).