1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine

C13H15FN4 — CID 117367826

IUPAC1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(-n3cncn3)c(F)c2)CC1
InChIInChI=1S/C13H15FN4/c1-9(15)13(4-5-13)10-2-3-12(11(14)6-10)18-8-16-7-17-18/h2-3,6-9H,4-5,15H2,1H3
InChIKeyQTVJURQMUCQFMB-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine

1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine (PubChem CID 117367826) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine
PubChem CID117367826
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(-n3cncn3)c(F)c2)CC1
InChIInChI=1S/C13H15FN4/c1-9(15)13(4-5-13)10-2-3-12(11(14)6-10)18-8-16-7-17-18/h2-3,6-9H,4-5,15H2,1H3
InChIKeyQTVJURQMUCQFMB-UHFFFAOYSA-N
XLogP1.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine
CID 117492210
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]propan-2-ol
CID 117315539
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
N-(1,1-difluoropropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
CID 102869216
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-methylbutanamide
CID 60945442
4-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butan-1-amine
CID 117340419
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
N-(1-cyclobutylpropan-2-yl)-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
CID 115929104
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590
(3aR,6aS)-5-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 139021076

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine (CID 117367826) is 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2ccc(-n3cncn3)c(F)c2)CC1.
What is the InChIKey of 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine?
The InChIKey is QTVJURQMUCQFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9(15)13(4-5-13)10-2-3-12(11(14)6-10)18-8-16-7-17-18/h2-3,6-9H,4-5,15H2,1H3.
What are the key properties of 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine has a molecular weight of 246.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117367826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).