1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one

C10H11IN4O — CID 126576418

IUPAC1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one
SMILESCCc1cccc(-n2nnn(C)c2=O)c1I
InChIInChI=1S/C10H11IN4O/c1-3-7-5-4-6-8(9(7)11)15-10(16)14(2)12-13-15/h4-6H,3H2,1-2H3
InChIKeyATKFISUSVCPRGT-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.13
Rot. Bonds2

About 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one

1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one (PubChem CID 126576418) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one
PubChem CID126576418
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one
SMILESCCc1cccc(-n2nnn(C)c2=O)c1I
InChIInChI=1S/C10H11IN4O/c1-3-7-5-4-6-8(9(7)11)15-10(16)14(2)12-13-15/h4-6H,3H2,1-2H3
InChIKeyATKFISUSVCPRGT-UHFFFAOYSA-N
XLogP1.13
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one (CID 126576418) is 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one is CCc1cccc(-n2nnn(C)c2=O)c1I.
What is the InChIKey of 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one?
The InChIKey is ATKFISUSVCPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-3-7-5-4-6-8(9(7)11)15-10(16)14(2)12-13-15/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one?
1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one has a molecular weight of 330.13 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-iodophenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 126576418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).