5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole

C14H20N4O2 — CID 71914265

IUPAC5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(OC)c(Cn2nnnc2C(C)(C)C)c1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)13-15-16-17-18(13)9-10-8-11(19-4)6-7-12(10)20-5/h6-8H,9H2,1-5H3
InChIKeyFHWKFVLZLZOKMJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds4

About 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole

5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole (PubChem CID 71914265) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole
PubChem CID71914265
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(OC)c(Cn2nnnc2C(C)(C)C)c1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)13-15-16-17-18(13)9-10-8-11(19-4)6-7-12(10)20-5/h6-8H,9H2,1-5H3
InChIKeyFHWKFVLZLZOKMJ-UHFFFAOYSA-N
XLogP2.04
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]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

N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 63362886
5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole
CID 55816704
2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
3-(2,5-dimethoxyphenyl)-2,2-dimethylpropanethioamide
CID 82154660
4-(1-chloroethyl)-1-[(2,5-dimethoxyphenyl)methyl]triazole
CID 81449512
1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanol
CID 81444017
2-(5-tert-butyltetrazol-1-yl)-5-methoxyaniline
CID 55034348
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 60548379
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227
1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 106228693
2-[(1R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579457

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole (CID 71914265) is 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole is COc1ccc(OC)c(Cn2nnnc2C(C)(C)C)c1.
What is the InChIKey of 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole?
The InChIKey is FHWKFVLZLZOKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)13-15-16-17-18(13)9-10-8-11(19-4)6-7-12(10)20-5/h6-8H,9H2,1-5H3.
What are the key properties of 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole?
5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole has a molecular weight of 276.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(2,5-dimethoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 71914265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).