2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine

C10H19FN4 — CID 112567829

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1ncnn1CC
InChIInChI=1S/C10H19FN4/c1-3-5-10(11,7-12)6-9-13-8-14-15(9)4-2/h8H,3-7,12H2,1-2H3
InChIKeyCIVMEKJXHNOOGR-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.31
Rot. Bonds6

About 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine (PubChem CID 112567829) has the molecular formula C10H19FN4 and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine
PubChem CID112567829
Molecular FormulaC10H19FN4
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1ncnn1CC
InChIInChI=1S/C10H19FN4/c1-3-5-10(11,7-12)6-9-13-8-14-15(9)4-2/h8H,3-7,12H2,1-2H3
InChIKeyCIVMEKJXHNOOGR-UHFFFAOYSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine (CID 112567829) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine is CCCC(F)(CN)Cc1ncnn1CC.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine?
The InChIKey is CIVMEKJXHNOOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4/c1-3-5-10(11,7-12)6-9-13-8-14-15(9)4-2/h8H,3-7,12H2,1-2H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine?
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine has a molecular weight of 214.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine is sourced from PubChem (CID 112567829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).