1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one

C8H8FN5O — CID 58287205

IUPAC1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cc(N)cc(F)c2)c1=O
InChIInChI=1S/C8H8FN5O/c1-13-8(15)14(12-11-13)7-3-5(9)2-6(10)4-7/h2-4H,10H2,1H3
InChIKeySGEMURTZLQDHEA-UHFFFAOYSA-N
MW209.18 g/mol
LogP-0.31
Rot. Bonds1

About 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one

1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one (PubChem CID 58287205) has the molecular formula C8H8FN5O and a molecular weight of 209.18 g/mol. Its IUPAC name is 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one
PubChem CID58287205
Molecular FormulaC8H8FN5O
Molecular Weight209.18 g/mol
Exact Mass209.07
IUPAC Name1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cc(N)cc(F)c2)c1=O
InChIInChI=1S/C8H8FN5O/c1-13-8(15)14(12-11-13)7-3-5(9)2-6(10)4-7/h2-4H,10H2,1H3
InChIKeySGEMURTZLQDHEA-UHFFFAOYSA-N
XLogP-0.31
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one (CID 58287205) is 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one is Cn1nnn(-c2cc(N)cc(F)c2)c1=O.
What is the InChIKey of 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one?
The InChIKey is SGEMURTZLQDHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O/c1-13-8(15)14(12-11-13)7-3-5(9)2-6(10)4-7/h2-4H,10H2,1H3.
What are the key properties of 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one?
1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one has a molecular weight of 209.18 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluorophenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 58287205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).