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

C11H21N5O — CID 102799675

IUPAC1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2n[nH]c(COC)n2)C1
InChIInChI=1S/C11H21N5O/c1-12-6-9-4-3-5-16(7-9)11-13-10(8-17-2)14-15-11/h9,12H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyIRKFHDFZCGDCBL-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.39
Rot. Bonds5

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

1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 102799675) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
PubChem CID102799675
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2n[nH]c(COC)n2)C1
InChIInChI=1S/C11H21N5O/c1-12-6-9-4-3-5-16(7-9)11-13-10(8-17-2)14-15-11/h9,12H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyIRKFHDFZCGDCBL-UHFFFAOYSA-N
XLogP0.39
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799650
N-methyl-1-[1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799695
N-methyl-1-[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799633
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
N-methyl-1-[1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799660
[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799830
1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799637
N-methyl-1-[1-[5-(2-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799705
1-[1-[5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799591
N-methyl-1-[1-[5-(3-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 103510849
1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800233
[1-[5-(propoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 114018304

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine (CID 102799675) is 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(c2n[nH]c(COC)n2)C1.
What is the InChIKey of 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is IRKFHDFZCGDCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-12-6-9-4-3-5-16(7-9)11-13-10(8-17-2)14-15-11/h9,12H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102799675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).