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

C10H15F4N5 — CID 102798856

IUPAC4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C(F)(F)C(F)F)n2)CC1N
InChIInChI=1S/C10H15F4N5/c1-5-2-3-19(4-6(5)15)9-16-8(17-18-9)10(13,14)7(11)12/h5-7H,2-4,15H2,1H3,(H,16,17,18)
InChIKeyYTSVXFZYIBLLSS-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.34
Rot. Bonds3

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

4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102798856) has the molecular formula C10H15F4N5 and a molecular weight of 281.26 g/mol. Its IUPAC name is 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102798856
Molecular FormulaC10H15F4N5
Molecular Weight281.26 g/mol
Exact Mass281.13
IUPAC Name4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C(F)(F)C(F)F)n2)CC1N
InChIInChI=1S/C10H15F4N5/c1-5-2-3-19(4-6(5)15)9-16-8(17-18-9)10(13,14)7(11)12/h5-7H,2-4,15H2,1H3,(H,16,17,18)
InChIKeyYTSVXFZYIBLLSS-UHFFFAOYSA-N
XLogP1.34
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine with MolForge

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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
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
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
2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569123
3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569174
1-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 83959689
7-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965610

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102798856) is 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CC1CCN(c2n[nH]c(C(F)(F)C(F)F)n2)CC1N.
What is the InChIKey of 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is YTSVXFZYIBLLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4N5/c1-5-2-3-19(4-6(5)15)9-16-8(17-18-9)10(13,14)7(11)12/h5-7H,2-4,15H2,1H3,(H,16,17,18).
What are the key properties of 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 281.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(1,1,2,2-tetrafluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102798856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).