1-(2-ethoxyphenyl)-5-propan-2-yltetrazole

C12H16N4O — CID 68956850

IUPAC1-(2-ethoxyphenyl)-5-propan-2-yltetrazole
SMILESCCOc1ccccc1-n1nnnc1C(C)C
InChIInChI=1S/C12H16N4O/c1-4-17-11-8-6-5-7-10(11)16-12(9(2)3)13-14-15-16/h5-9H,4H2,1-3H3
InChIKeyIIJFYJCYOPYGRF-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole

1-(2-ethoxyphenyl)-5-propan-2-yltetrazole (PubChem CID 68956850) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-propan-2-yltetrazole
PubChem CID68956850
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(2-ethoxyphenyl)-5-propan-2-yltetrazole
SMILESCCOc1ccccc1-n1nnnc1C(C)C
InChIInChI=1S/C12H16N4O/c1-4-17-11-8-6-5-7-10(11)16-12(9(2)3)13-14-15-16/h5-9H,4H2,1-3H3
InChIKeyIIJFYJCYOPYGRF-UHFFFAOYSA-N
XLogP2.18
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4579692
3-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 29310629
5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole
CID 2614031
1-(2-ethoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole;5-(1,1,2,2,2-pentafluoroethyl)-1-(2-propan-2-yloxyphenyl)tetrazole;5-(1,1,2,2,2-pentafluoroethyl)-1-(2-propoxyphenyl)tetrazole
CID 87932242
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234640
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306552
3-methoxy-4-(5-propan-2-yltetrazol-1-yl)aniline
CID 62075344
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-enylpropanamide
CID 46642387
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
(2S)-1-(1-adamantyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8894003
(2S)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7459177

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole?
The IUPAC name of 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole (CID 68956850) is 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole is CCOc1ccccc1-n1nnnc1C(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole?
The InChIKey is IIJFYJCYOPYGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-17-11-8-6-5-7-10(11)16-12(9(2)3)13-14-15-16/h5-9H,4H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole?
1-(2-ethoxyphenyl)-5-propan-2-yltetrazole has a molecular weight of 232.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-propan-2-yltetrazole is sourced from PubChem (CID 68956850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).