(3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine

C13H16FN5 — CID 174409290

IUPAC(3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2c(F)cccc2Cn2ccnn2)C1
InChIInChI=1S/C13H16FN5/c14-12-3-1-2-10(8-19-7-5-16-17-19)13(12)18-6-4-11(15)9-18/h1-3,5,7,11H,4,6,8-9,15H2/t11-/m1/s1
InChIKeyHDIIPBVCXKIQJL-LLVKDONJSA-N
MW261.30 g/mol
LogP1.00
Rot. Bonds3

About (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine

(3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine (PubChem CID 174409290) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
PubChem CID174409290
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name(3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2c(F)cccc2Cn2ccnn2)C1
InChIInChI=1S/C13H16FN5/c14-12-3-1-2-10(8-19-7-5-16-17-19)13(12)18-6-4-11(15)9-18/h1-3,5,7,11H,4,6,8-9,15H2/t11-/m1/s1
InChIKeyHDIIPBVCXKIQJL-LLVKDONJSA-N
XLogP1.00
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine
CID 174408765
tert-butyl 4-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]piperazine-1-carboxylate
CID 174427866
1-(2-chloro-6-fluorophenyl)pyrrolidin-3-amine
CID 112703896
1-(2,6-difluorophenyl)piperidin-4-amine
CID 28974632
2-(triazol-1-ylmethyl)phenol
CID 21198638
1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine
CID 114070145
1-[(3-fluorophenyl)methyl]triazole
CID 12811470
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 154906169
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836422
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
CID 94340829
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
1-benzyltriazole
CID 141250243

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine (CID 174409290) is (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine is N[C@@H]1CCN(c2c(F)cccc2Cn2ccnn2)C1.
What is the InChIKey of (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is HDIIPBVCXKIQJL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FN5/c14-12-3-1-2-10(8-19-7-5-16-17-19)13(12)18-6-4-11(15)9-18/h1-3,5,7,11H,4,6,8-9,15H2/t11-/m1/s1.
What are the key properties of (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine?
(3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 261.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-fluoro-6-(triazol-1-ylmethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 174409290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).