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

C12H23N5O — CID 62420823

IUPACN-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCOCC2C)nn1
InChIInChI=1S/C12H23N5O/c1-3-13-8-12-9-17(15-14-12)5-4-16-6-7-18-10-11(16)2/h9,11,13H,3-8,10H2,1-2H3
InChIKeyIRCLGHJZBMLKRB-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds6

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

N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 62420823) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID62420823
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCOCC2C)nn1
InChIInChI=1S/C12H23N5O/c1-3-13-8-12-9-17(15-14-12)5-4-16-6-7-18-10-11(16)2/h9,11,13H,3-8,10H2,1-2H3
InChIKeyIRCLGHJZBMLKRB-UHFFFAOYSA-N
XLogP0.11
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62433705
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
N-[[1-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63620813
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330
N-[[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63163164
N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55074366
N-[[1-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63621508
N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 114413134
N-[[1-[2-(4,4-dimethylazepan-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 65286425
N-ethyl-4-(3-methylmorpholin-4-yl)butan-1-amine
CID 62421385
N-[[1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 63024466

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine (CID 62420823) is N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCN2CCOCC2C)nn1.
What is the InChIKey of N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is IRCLGHJZBMLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-13-8-12-9-17(15-14-12)5-4-16-6-7-18-10-11(16)2/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62420823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).