3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine

C10H19FN4 — CID 107443789

IUPAC3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN)C(F)Cc1ncnn1C
InChIInChI=1S/C10H19FN4/c1-7(2)8(5-12)9(11)4-10-13-6-14-15(10)3/h6-9H,4-5,12H2,1-3H3
InChIKeySALKTKSBIHQPAM-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.93
Rot. Bonds5

About 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine

3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine (PubChem CID 107443789) has the molecular formula C10H19FN4 and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine
PubChem CID107443789
Molecular FormulaC10H19FN4
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Name3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN)C(F)Cc1ncnn1C
InChIInChI=1S/C10H19FN4/c1-7(2)8(5-12)9(11)4-10-13-6-14-15(10)3/h6-9H,4-5,12H2,1-3H3
InChIKeySALKTKSBIHQPAM-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62693866
(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
(1S)-1-cyclopentyl-N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 137992965
1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 164629936
3-Decan-3-yl-1-(2-fluoroethyl)-1,2,4-triazole
CID 69050322
1-(2,2-Difluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500044
1-(2-Fluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500103
4-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 146389227
4-[[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 170069604
1-Methyl-5-cyclopentyl-1H-1,2,4-triazole
CID 15496059

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine (CID 107443789) is 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine is CC(C)C(CN)C(F)Cc1ncnn1C.
What is the InChIKey of 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine?
The InChIKey is SALKTKSBIHQPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4/c1-7(2)8(5-12)9(11)4-10-13-6-14-15(10)3/h6-9H,4-5,12H2,1-3H3.
What are the key properties of 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine?
3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine has a molecular weight of 214.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107443789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).