2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

C6H11FN4 — CID 131222878

IUPAC2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCN(CCF)Cc1ncn[nH]1
InChIInChI=1S/C6H11FN4/c1-11(3-2-7)4-6-8-5-9-10-6/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyVCLFXUVTFXJKLM-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.21
Rot. Bonds4

About 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 131222878) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID131222878
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCN(CCF)Cc1ncn[nH]1
InChIInChI=1S/C6H11FN4/c1-11(3-2-7)4-6-8-5-9-10-6/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyVCLFXUVTFXJKLM-UHFFFAOYSA-N
XLogP0.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 131222878) is 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is CN(CCF)Cc1ncn[nH]1.
What is the InChIKey of 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is VCLFXUVTFXJKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-11(3-2-7)4-6-8-5-9-10-6/h5H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 158.18 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 131222878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).