methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate

C12H15N5O2 — CID 860890

IUPACmethyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C12H15N5O2/c1-16(2)10-6-4-9(5-7-10)12-13-15-17(14-12)8-11(18)19-3/h4-7H,8H2,1-3H3
InChIKeyHLRFKSBNZQJNKX-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.58
Rot. Bonds4

About methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate

methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate (PubChem CID 860890) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
PubChem CID860890
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Namemethyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C12H15N5O2/c1-16(2)10-6-4-9(5-7-10)12-13-15-17(14-12)8-11(18)19-3/h4-7H,8H2,1-3H3
InChIKeyHLRFKSBNZQJNKX-UHFFFAOYSA-N
XLogP0.58
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate 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

cyclohexyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
CID 860893
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
CID 3188668
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 1146774
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 860876
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 860877
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(3-hydroxyphenyl)acetamide
CID 860865
2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
CID 1134074
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate (CID 860890) is methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate is COC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate?
The InChIKey is HLRFKSBNZQJNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16(2)10-6-4-9(5-7-10)12-13-15-17(14-12)8-11(18)19-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate?
methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate has a molecular weight of 261.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate is sourced from PubChem (CID 860890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).