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

C13H25N5 — CID 62415302

IUPACN-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCCC1CCCCN1C)c1nncn1C
InChIInChI=1S/C13H25N5/c1-11(13-16-15-10-18(13)3)14-8-7-12-6-4-5-9-17(12)2/h10-12,14H,4-9H2,1-3H3
InChIKeyIVYWUZFOZVRLCF-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.34
Rot. Bonds5

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

N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 62415302) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID62415302
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCCC1CCCCN1C)c1nncn1C
InChIInChI=1S/C13H25N5/c1-11(13-16-15-10-18(13)3)14-8-7-12-6-4-5-9-17(12)2/h10-12,14H,4-9H2,1-3H3
InChIKeyIVYWUZFOZVRLCF-UHFFFAOYSA-N
XLogP1.34
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
CID 102731179
1-(azepan-1-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanone
CID 62118099
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81373836
3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
CID 103914140
N'-tert-butyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 107445034
3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
CID 62119018
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103248696
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanenitrile
CID 62117721
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pentan-2-amine
CID 75504470

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 62415302) is N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CC(NCCC1CCCCN1C)c1nncn1C.
What is the InChIKey of N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is IVYWUZFOZVRLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(13-16-15-10-18(13)3)14-8-7-12-6-4-5-9-17(12)2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 251.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-2-yl)ethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 62415302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).