1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole

C14H16FN3 — CID 166088183

IUPAC1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole
SMILESCC(C)c1ccc(-c2cn(C3CC3)nn2)cc1F
InChIInChI=1S/C14H16FN3/c1-9(2)12-6-3-10(7-13(12)15)14-8-18(17-16-14)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3
InChIKeySVUTUJQVEFBJFW-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.54
Rot. Bonds3

About 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole

1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole (PubChem CID 166088183) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole
PubChem CID166088183
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole
SMILESCC(C)c1ccc(-c2cn(C3CC3)nn2)cc1F
InChIInChI=1S/C14H16FN3/c1-9(2)12-6-3-10(7-13(12)15)14-8-18(17-16-14)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3
InChIKeySVUTUJQVEFBJFW-UHFFFAOYSA-N
XLogP3.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole?
The IUPAC name of 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole (CID 166088183) is 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole.
What is the SMILES notation for 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole?
The canonical SMILES for 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole is CC(C)c1ccc(-c2cn(C3CC3)nn2)cc1F.
What is the InChIKey of 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole?
The InChIKey is SVUTUJQVEFBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9(2)12-6-3-10(7-13(12)15)14-8-18(17-16-14)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole?
1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole has a molecular weight of 245.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole is sourced from PubChem (CID 166088183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).