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

C13H24N4O — CID 77098215

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine
SMILESCCN(Cc1ncnn1CC)CC1CCCCO1
InChIInChI=1S/C13H24N4O/c1-3-16(9-12-7-5-6-8-18-12)10-13-14-11-15-17(13)4-2/h11-12H,3-10H2,1-2H3
InChIKeyBQRUNZTWOMMMGZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds6

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

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 77098215) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine
PubChem CID77098215
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine
SMILESCCN(Cc1ncnn1CC)CC1CCCCO1
InChIInChI=1S/C13H24N4O/c1-3-16(9-12-7-5-6-8-18-12)10-13-14-11-15-17(13)4-2/h11-12H,3-10H2,1-2H3
InChIKeyBQRUNZTWOMMMGZ-UHFFFAOYSA-N
XLogP1.69
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-1-(oxan-2-ylmethyl)piperidine
CID 53596659
(2S)-2-(2-methoxyethyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129619466
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 164635083
4-Cyclopentyloxy-1-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 121536604
2-Cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 121536632
(2R)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 124735984
(2S)-2-cyclohexyl-4-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 124735985
8-[[2-(2,2-Difluoroethyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 138001493
1-cyclohexyl-3-methyl-5-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazole
CID 72927273
4-[2-(5-Methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine
CID 141027534
1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine
CID 168875132
(3-Methyl-1,2,4-triazol-1-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
CID 172485919

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine (CID 77098215) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine is CCN(Cc1ncnn1CC)CC1CCCCO1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is BQRUNZTWOMMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-16(9-12-7-5-6-8-18-12)10-13-14-11-15-17(13)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 77098215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).