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

C13H19N5S — CID 102794421

IUPAC1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCCc1ccc(-c2nc(N3CCCC(N)C3)n[nH]2)s1
InChIInChI=1S/C13H19N5S/c1-2-10-5-6-11(19-10)12-15-13(17-16-12)18-7-3-4-9(14)8-18/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,16,17)
InChIKeyBVYABYVDCMOHPX-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.02
Rot. Bonds3

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

1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794421) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794421
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCCc1ccc(-c2nc(N3CCCC(N)C3)n[nH]2)s1
InChIInChI=1S/C13H19N5S/c1-2-10-5-6-11(19-10)12-15-13(17-16-12)18-7-3-4-9(14)8-18/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,16,17)
InChIKeyBVYABYVDCMOHPX-UHFFFAOYSA-N
XLogP2.02
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794281
1-[5-(4,5-dibromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794364
1-[5-(5-methyl-1,2-oxazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794153
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794355
1-[1-[5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799591
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449
1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794186
1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793344
1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794171
1-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794246
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
[1-[5-(3-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799797

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794421) is 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CCc1ccc(-c2nc(N3CCCC(N)C3)n[nH]2)s1.
What is the InChIKey of 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is BVYABYVDCMOHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-2-10-5-6-11(19-10)12-15-13(17-16-12)18-7-3-4-9(14)8-18/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,16,17).
What are the key properties of 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 277.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).