2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine

C10H19FN4 — CID 112566113

IUPAC2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCCC(F)(CN)Cc1ncnn1C(C)C
InChIInChI=1S/C10H19FN4/c1-4-10(11,6-12)5-9-13-7-14-15(9)8(2)3/h7-8H,4-6,12H2,1-3H3
InChIKeyUKEFYEHYLMZTGP-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.48
Rot. Bonds5

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

2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine (PubChem CID 112566113) has the molecular formula C10H19FN4 and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
PubChem CID112566113
Molecular FormulaC10H19FN4
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Name2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCCC(F)(CN)Cc1ncnn1C(C)C
InChIInChI=1S/C10H19FN4/c1-4-10(11,6-12)5-9-13-7-14-15(9)8(2)3/h7-8H,4-6,12H2,1-3H3
InChIKeyUKEFYEHYLMZTGP-UHFFFAOYSA-N
XLogP1.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine (CID 112566113) is 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine is CCC(F)(CN)Cc1ncnn1C(C)C.
What is the InChIKey of 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The InChIKey is UKEFYEHYLMZTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4/c1-4-10(11,6-12)5-9-13-7-14-15(9)8(2)3/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine has a molecular weight of 214.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 112566113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).