1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine

C11H11FN4 — CID 84786009

IUPAC1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-n3cncn3)c(F)c2)CC1
InChIInChI=1S/C11H11FN4/c12-9-5-8(11(13)3-4-11)1-2-10(9)16-7-14-6-15-16/h1-2,5-7H,3-4,13H2
InChIKeyFXKMXAIIODBDCI-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.35
Rot. Bonds2

About 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine

1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine (PubChem CID 84786009) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine
PubChem CID84786009
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-n3cncn3)c(F)c2)CC1
InChIInChI=1S/C11H11FN4/c12-9-5-8(11(13)3-4-11)1-2-10(9)16-7-14-6-15-16/h1-2,5-7H,3-4,13H2
InChIKeyFXKMXAIIODBDCI-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine (CID 84786009) is 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine is NC1(c2ccc(-n3cncn3)c(F)c2)CC1.
What is the InChIKey of 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine?
The InChIKey is FXKMXAIIODBDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-9-5-8(11(13)3-4-11)1-2-10(9)16-7-14-6-15-16/h1-2,5-7H,3-4,13H2.
What are the key properties of 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine?
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine has a molecular weight of 218.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84786009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).