1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine

C12H23N5 — CID 63255594

IUPAC1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1nnc(CN2CCCCC2C(C)N)n1C
InChIInChI=1S/C12H23N5/c1-9(13)11-6-4-5-7-17(11)8-12-15-14-10(2)16(12)3/h9,11H,4-8,13H2,1-3H3
InChIKeyJLHYWLFQFPIFCP-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.83
Rot. Bonds3

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

1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63255594) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID63255594
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1nnc(CN2CCCCC2C(C)N)n1C
InChIInChI=1S/C12H23N5/c1-9(13)11-6-4-5-7-17(11)8-12-15-14-10(2)16(12)3/h9,11H,4-8,13H2,1-3H3
InChIKeyJLHYWLFQFPIFCP-UHFFFAOYSA-N
XLogP0.83
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 107040723
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134
(4aS,8aR)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94436032
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255733
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255092
1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63254745
1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine
CID 80664621
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
CID 119911607
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 104869108

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine (CID 63255594) is 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine is Cc1nnc(CN2CCCCC2C(C)N)n1C.
What is the InChIKey of 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is JLHYWLFQFPIFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9(13)11-6-4-5-7-17(11)8-12-15-14-10(2)16(12)3/h9,11H,4-8,13H2,1-3H3.
What are the key properties of 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).