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

C8H15FN4O — CID 165457722

IUPAC(1R)-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-/m0/s1
InChIKeyWRBJQHPRJSNDOY-ZETCQYMHSA-N
MW202.23 g/mol
LogP0.28
Rot. Bonds6

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

(1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine (PubChem CID 165457722) has the molecular formula C8H15FN4O and a molecular weight of 202.23 g/mol. Its IUPAC name is (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine
PubChem CID165457722
Molecular FormulaC8H15FN4O
Molecular Weight202.23 g/mol
Exact Mass202.12
IUPAC Name(1R)-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-/m0/s1
InChIKeyWRBJQHPRJSNDOY-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine?
The IUPAC name of (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine (CID 165457722) is (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine.
What is the SMILES notation for (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine?
The canonical SMILES for (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine is COC[C@H](N)c1cnnn1CCCF.
What is the InChIKey of (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine?
The InChIKey is WRBJQHPRJSNDOY-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine?
(1R)-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 (1R)-1-[3-(3-fluoropropyl)triazol-4-yl]-2-methoxyethanamine is sourced from PubChem (CID 165457722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).