1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one

C15H19FN4O — CID 90209165

IUPAC1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cc(C(C)(C)C)c(F)cc2C2CC2)c1=O
InChIInChI=1S/C15H19FN4O/c1-15(2,3)11-8-13(20-14(21)19(4)17-18-20)10(7-12(11)16)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKeyXVWVMNHGSIHNNJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.28
Rot. Bonds2

About 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one

1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one (PubChem CID 90209165) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one
PubChem CID90209165
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one
SMILESCn1nnn(-c2cc(C(C)(C)C)c(F)cc2C2CC2)c1=O
InChIInChI=1S/C15H19FN4O/c1-15(2,3)11-8-13(20-14(21)19(4)17-18-20)10(7-12(11)16)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKeyXVWVMNHGSIHNNJ-UHFFFAOYSA-N
XLogP2.28
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one (CID 90209165) is 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one is Cn1nnn(-c2cc(C(C)(C)C)c(F)cc2C2CC2)c1=O.
What is the InChIKey of 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one?
The InChIKey is XVWVMNHGSIHNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-15(2,3)11-8-13(20-14(21)19(4)17-18-20)10(7-12(11)16)9-5-6-9/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one?
1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one has a molecular weight of 290.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-cyclopropyl-4-fluorophenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 90209165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).