N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C10H16F3N5 — CID 54884743

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ncn[nH]2)CC1
InChIInChI=1S/C10H16F3N5/c11-10(12,13)6-18-3-1-8(2-4-18)14-5-9-15-7-16-17-9/h7-8,14H,1-6H2,(H,15,16,17)
InChIKeyKFIQHTNDVJLVJP-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.92
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 54884743) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID54884743
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ncn[nH]2)CC1
InChIInChI=1S/C10H16F3N5/c11-10(12,13)6-18-3-1-8(2-4-18)14-5-9-15-7-16-17-9/h7-8,14H,1-6H2,(H,15,16,17)
InChIKeyKFIQHTNDVJLVJP-UHFFFAOYSA-N
XLogP0.92
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
CID 60978223
N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 54885071
4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
CID 62709177
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 167784712
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772111
N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107084
1-(2,2,2-trifluoroethyl)-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 119107086
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103096714
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82733889

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 54884743) is N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2ncn[nH]2)CC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is KFIQHTNDVJLVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c11-10(12,13)6-18-3-1-8(2-4-18)14-5-9-15-7-16-17-9/h7-8,14H,1-6H2,(H,15,16,17).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 263.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 54884743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).