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

C10H16F3N5 — CID 102798671

IUPAC2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-6-7(14)3-2-4-18(6)9-15-8(16-17-9)5-10(11,12)13/h6-7H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyDJDCODBEYYZUDM-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.23
Rot. Bonds2

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

2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102798671) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102798671
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1C(N)CCCN1c1n[nH]c(CC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-6-7(14)3-2-4-18(6)9-15-8(16-17-9)5-10(11,12)13/h6-7H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyDJDCODBEYYZUDM-UHFFFAOYSA-N
XLogP1.23
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 91662957
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61276907
N-Cyclohexyl-2-(5-methyl-4H-1,2,4-triazol-3-YL)piperidine-1-carboxamide
CID 110194759
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
CID 110194762
(2R*,6S*)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 50973592
1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
CID 95132693
(2S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-1-propan-2-ylpiperazine
CID 124752864
(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 124755225
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124755825
(2S)-2-[3-isobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 131942532
4-[3-(1,1-Difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidin
CID 59287293
3-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1H-1,2,4-triazole
CID 126623743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102798671) is 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CC1C(N)CCCN1c1n[nH]c(CC(F)(F)F)n1.
What is the InChIKey of 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is DJDCODBEYYZUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-6-7(14)3-2-4-18(6)9-15-8(16-17-9)5-10(11,12)13/h6-7H,2-5,14H2,1H3,(H,15,16,17).
What are the key properties of 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 263.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102798671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).