(3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine

C9H15FN4O — CID 126856229

IUPAC(3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
SMILESCN(Cc1nncn1C)[C@@H]1COC[C@H]1F
InChIInChI=1S/C9H15FN4O/c1-13(8-5-15-4-7(8)10)3-9-12-11-6-14(9)2/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyFCGZJDWTRAVRFB-HTQZYQBOSA-N
MW214.24 g/mol
LogP-0.02
Rot. Bonds3

About (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine

(3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine (PubChem CID 126856229) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
PubChem CID126856229
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name(3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
SMILESCN(Cc1nncn1C)[C@@H]1COC[C@H]1F
InChIInChI=1S/C9H15FN4O/c1-13(8-5-15-4-7(8)10)3-9-12-11-6-14(9)2/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyFCGZJDWTRAVRFB-HTQZYQBOSA-N
XLogP-0.02
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-3-(oxiran-2-ylmethyl)-1,2,4-triazole
CID 131043364
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166425331
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
CID 126917379
2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol
CID 78964774
(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
CID 97076119
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 128986917
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758
3-N-methyl-3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
CID 171753484
N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine
CID 131891219
4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol
CID 115666950
3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole
CID 115395245
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide
CID 66258699

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine (CID 126856229) is (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine is CN(Cc1nncn1C)[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is FCGZJDWTRAVRFB-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-13(8-5-15-4-7(8)10)3-9-12-11-6-14(9)2/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
(3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 214.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 126856229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).