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

C9H15FN4O — CID 126856128

IUPAC4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
SMILESCN(Cc1nncn1C)C1COCC1F
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
InChIKeyFCGZJDWTRAVRFB-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.02
Rot. Bonds3

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

4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine (PubChem CID 126856128) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
PubChem CID126856128
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
SMILESCN(Cc1nncn1C)C1COCC1F
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
InChIKeyFCGZJDWTRAVRFB-UHFFFAOYSA-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

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Related Compounds

1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(tetrahydrofuran-3-ylmethyl)methanamine
CID 50975179
3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole
CID 124751746
1-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62117713
1-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803641
4-(2-Methylpropyl)-3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 72129865
4-(2-methylpropyl)-3-[(2S)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 95773988
4-(2-methylpropyl)-3-[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 95773989
3-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 103213652
4-Propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
CID 103213653
4-Propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213654
3-[2-(2,2-Difluoroethoxy)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 103213655
4-Cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazole
CID 103213656

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine (CID 126856128) is 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine is CN(Cc1nncn1C)C1COCC1F.
What is the InChIKey of 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is FCGZJDWTRAVRFB-UHFFFAOYSA-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.
What are the key properties of 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine?
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 4-fluoro-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 126856128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).