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

C15H21N5 — CID 102794281

IUPAC1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCCc1ccccc1-c1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C15H21N5/c1-2-11-6-3-4-8-13(11)14-17-15(19-18-14)20-9-5-7-12(16)10-20/h3-4,6,8,12H,2,5,7,9-10,16H2,1H3,(H,17,18,19)
InChIKeyRTFBHZYUHMQMHC-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.96
Rot. Bonds3

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

1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794281) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794281
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCCc1ccccc1-c1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C15H21N5/c1-2-11-6-3-4-8-13(11)14-17-15(19-18-14)20-9-5-7-12(16)10-20/h3-4,6,8,12H,2,5,7,9-10,16H2,1H3,(H,17,18,19)
InChIKeyRTFBHZYUHMQMHC-UHFFFAOYSA-N
XLogP1.96
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-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

1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794171
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800340
1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794421
1-[5-(5-methyl-1,2-oxazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794153
1-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794246
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794355
[1-[5-(3-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799797
1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794329
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794407
1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794186
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794281) is 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CCc1ccccc1-c1nc(N2CCCC(N)C2)n[nH]1.
What is the InChIKey of 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is RTFBHZYUHMQMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-11-6-3-4-8-13(11)14-17-15(19-18-14)20-9-5-7-12(16)10-20/h3-4,6,8,12H,2,5,7,9-10,16H2,1H3,(H,17,18,19).
What are the key properties of 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 271.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).