1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine

C15H23N5O — CID 102799118

IUPAC1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
SMILESCc1cc(-c2nc(N3CCC(C(C)N)CC3)n[nH]2)c(C)o1
InChIInChI=1S/C15H23N5O/c1-9-8-13(11(3)21-9)14-17-15(19-18-14)20-6-4-12(5-7-20)10(2)16/h8,10,12H,4-7,16H2,1-3H3,(H,17,18,19)
InChIKeyBYURNKCJHVCXOD-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.25
Rot. Bonds3

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

1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine (PubChem CID 102799118) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
PubChem CID102799118
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
SMILESCc1cc(-c2nc(N3CCC(C(C)N)CC3)n[nH]2)c(C)o1
InChIInChI=1S/C15H23N5O/c1-9-8-13(11(3)21-9)14-17-15(19-18-14)20-6-4-12(5-7-20)10(2)16/h8,10,12H,4-7,16H2,1-3H3,(H,17,18,19)
InChIKeyBYURNKCJHVCXOD-UHFFFAOYSA-N
XLogP2.25
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine with MolForge

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Related Compounds

1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800061
1-[1-[5-(4-iodophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799263
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 102799233
1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798548
1-[1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 103400511
1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799213
1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799155
1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799212
1-[1-(5-heptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799158
1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793827
1-[5-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793980

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine (CID 102799118) is 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine is Cc1cc(-c2nc(N3CCC(C(C)N)CC3)n[nH]2)c(C)o1.
What is the InChIKey of 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The InChIKey is BYURNKCJHVCXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9-8-13(11(3)21-9)14-17-15(19-18-14)20-6-4-12(5-7-20)10(2)16/h8,10,12H,4-7,16H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 102799118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).