(1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine

C8H15FN4O — CID 165451285

IUPAC(1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cnnn1CCCF
InChIInChI=1S/C8H15FN4O/c1-14-6-7(10)8-5-11-12-13(8)4-2-3-9/h5,7H,2-4,6,10H2,1H3/t7-/m1/s1
InChIKeyWRBJQHPRJSNDOY-SSDOTTSWSA-N
MW202.23 g/mol
LogP0.28
Rot. Bonds6

About (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine

(1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine (PubChem CID 165451285) has the molecular formula C8H15FN4O and a molecular weight of 202.23 g/mol. Its IUPAC name is (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine
PubChem CID165451285
Molecular FormulaC8H15FN4O
Molecular Weight202.23 g/mol
Exact Mass202.12
IUPAC Name(1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine
SMILESCOC[C@@H](N)c1cnnn1CCCF
InChIInChI=1S/C8H15FN4O/c1-14-6-7(10)8-5-11-12-13(8)4-2-3-9/h5,7H,2-4,6,10H2,1H3/t7-/m1/s1
InChIKeyWRBJQHPRJSNDOY-SSDOTTSWSA-N
XLogP0.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-1-(1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 55283735
1-[3-(2-Fluoroethyl)triazol-4-yl]ethanamine
CID 84650760
2-Amino-2-[3-(2-fluoroethyl)triazol-4-yl]ethanol
CID 84654848
1-(3-Methyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147988
1-(3-Propyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147989
3-(2,2-Difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine
CID 103148844
N-ethyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216249
1-(3-Propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216250
N-methyl-1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216254
N-[1-(3-propyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216256
1-(3-Methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216319
N-methyl-1-(3-methyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216323

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine?
The IUPAC name of (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine (CID 165451285) is (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine?
The canonical SMILES for (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine is COC[C@@H](N)c1cnnn1CCCF.
What is the InChIKey of (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine?
The InChIKey is WRBJQHPRJSNDOY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15FN4O/c1-14-6-7(10)8-5-11-12-13(8)4-2-3-9/h5,7H,2-4,6,10H2,1H3/t7-/m1/s1.
What are the key properties of (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine?
(1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine has a molecular weight of 202.23 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine is sourced from PubChem (CID 165451285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).