4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C9H14F3N5 — CID 102798926

IUPAC4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C(F)(F)F)n2)CC1N
InChIInChI=1S/C9H14F3N5/c1-5-2-3-17(4-6(5)13)8-14-7(15-16-8)9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyIDTZMMNNEBZGNP-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.00
Rot. Bonds1

About 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102798926) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102798926
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C(F)(F)F)n2)CC1N
InChIInChI=1S/C9H14F3N5/c1-5-2-3-17(4-6(5)13)8-14-7(15-16-8)9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyIDTZMMNNEBZGNP-UHFFFAOYSA-N
XLogP1.00
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
CID 95132693
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124755825
4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 47002731
4-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569094
4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 84037643
4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 174288083
3-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-amine
CID 64574754
3-ethyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-amine
CID 64575513
3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-2-amine
CID 64575828
4-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82568326
2-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82568366
3-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82568410

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102798926) is 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CC1CCN(c2n[nH]c(C(F)(F)F)n2)CC1N.
What is the InChIKey of 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is IDTZMMNNEBZGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-5-2-3-17(4-6(5)13)8-14-7(15-16-8)9(10,11)12/h5-6H,2-4,13H2,1H3,(H,14,15,16).
What are the key properties of 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 249.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102798926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).