1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one

C11H12FN5O — CID 58287125

IUPAC1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cc(N)cc(F)c2C2CC2)c1=O
InChIInChI=1S/C11H12FN5O/c1-16-11(18)17(15-14-16)9-5-7(13)4-8(12)10(9)6-2-3-6/h4-6H,2-3,13H2,1H3
InChIKeyFOZOGDCQTNFJNK-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.56
Rot. Bonds2

About 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one

1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one (PubChem CID 58287125) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one
PubChem CID58287125
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cc(N)cc(F)c2C2CC2)c1=O
InChIInChI=1S/C11H12FN5O/c1-16-11(18)17(15-14-16)9-5-7(13)4-8(12)10(9)6-2-3-6/h4-6H,2-3,13H2,1H3
InChIKeyFOZOGDCQTNFJNK-UHFFFAOYSA-N
XLogP0.56
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.56
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-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one (CID 58287125) is 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one is Cn1nnn(-c2cc(N)cc(F)c2C2CC2)c1=O.
What is the InChIKey of 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one?
The InChIKey is FOZOGDCQTNFJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-16-11(18)17(15-14-16)9-5-7(13)4-8(12)10(9)6-2-3-6/h4-6H,2-3,13H2,1H3.
What are the key properties of 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one?
1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one has a molecular weight of 249.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 58287125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).