1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one

C13H17FN4O — CID 134228733

IUPAC1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one
SMILESCCCc1cc(-n2nnn(C)c2=O)c(CC)cc1F
InChIInChI=1S/C13H17FN4O/c1-4-6-10-8-12(9(5-2)7-11(10)14)18-13(19)17(3)15-16-18/h7-8H,4-6H2,1-3H3
InChIKeyALTCCPHMVHQNTL-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one

1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one (PubChem CID 134228733) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one
PubChem CID134228733
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one
SMILESCCCc1cc(-n2nnn(C)c2=O)c(CC)cc1F
InChIInChI=1S/C13H17FN4O/c1-4-6-10-8-12(9(5-2)7-11(10)14)18-13(19)17(3)15-16-18/h7-8H,4-6H2,1-3H3
InChIKeyALTCCPHMVHQNTL-UHFFFAOYSA-N
XLogP1.62
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one (CID 134228733) is 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one is CCCc1cc(-n2nnn(C)c2=O)c(CC)cc1F.
What is the InChIKey of 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one?
The InChIKey is ALTCCPHMVHQNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-4-6-10-8-12(9(5-2)7-11(10)14)18-13(19)17(3)15-16-18/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one?
1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one has a molecular weight of 264.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-fluoro-5-propylphenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 134228733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).