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

C15H23N5O — CID 102800061

IUPAC1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2n[nH]c(-c3cc(C)oc3C)n2)CC1
InChIInChI=1S/C15H23N5O/c1-10-8-13(11(2)21-10)14-17-15(19-18-14)20-6-4-12(5-7-20)9-16-3/h8,12,16H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyHRPGLCYAAMGLBT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.12
Rot. Bonds4

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

1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 102800061) 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]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
PubChem CID102800061
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]-N-methylmethanamine
SMILESCNCC1CCN(c2n[nH]c(-c3cc(C)oc3C)n2)CC1
InChIInChI=1S/C15H23N5O/c1-10-8-13(11(2)21-10)14-17-15(19-18-14)20-6-4-12(5-7-20)9-16-3/h8,12,16H,4-7,9H2,1-3H3,(H,17,18,19)
InChIKeyHRPGLCYAAMGLBT-UHFFFAOYSA-N
XLogP2.12
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799118
N-methyl-1-[1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800069
N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800136
N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800138
N-methyl-1-[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799653
1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798548
1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800196
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
N-methyl-1-[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800095
N-methyl-1-[1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800134
N-methyl-1-[1-[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800149
N-methyl-1-[1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800155

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]-N-methylmethanamine?
The IUPAC name of 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine (CID 102800061) is 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2n[nH]c(-c3cc(C)oc3C)n2)CC1.
What is the InChIKey of 1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is HRPGLCYAAMGLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-8-13(11(2)21-10)14-17-15(19-18-14)20-6-4-12(5-7-20)9-16-3/h8,12,16H,4-7,9H2,1-3H3,(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]-N-methylmethanamine?
1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.12, 4 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]-N-methylmethanamine is sourced from PubChem (CID 102800061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).