N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

C11H21N5 — CID 106281613

IUPACN-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCC1CCCN(C)C1)c1ncn[nH]1
InChIInChI=1S/C11H21N5/c1-9(11-13-8-14-15-11)12-6-10-4-3-5-16(2)7-10/h8-10,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXDUYAWCJAFWGRV-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.80
Rot. Bonds4

About N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106281613) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106281613
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCC1CCCN(C)C1)c1ncn[nH]1
InChIInChI=1S/C11H21N5/c1-9(11-13-8-14-15-11)12-6-10-4-3-5-16(2)7-10/h8-10,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXDUYAWCJAFWGRV-UHFFFAOYSA-N
XLogP0.80
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114207826
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
3-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-3-yl]propanoic acid
CID 106283258
N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-3-yl]methanamine
CID 102799744
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine
CID 115769979
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106281613) is N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is CC(NCC1CCCN(C)C1)c1ncn[nH]1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is XDUYAWCJAFWGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9(11-13-8-14-15-11)12-6-10-4-3-5-16(2)7-10/h8-10,12H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106281613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).