N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C11H21N5O — CID 79092775

IUPACN-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCNC(Cc1ncnn1C)C1CN(C)CCO1
InChIInChI=1S/C11H21N5O/c1-12-9(6-11-13-8-14-16(11)3)10-7-15(2)4-5-17-10/h8-10,12H,4-7H2,1-3H3
InChIKeyLGGPFVPXCNKBFF-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.72
Rot. Bonds4

About N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 79092775) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID79092775
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCNC(Cc1ncnn1C)C1CN(C)CCO1
InChIInChI=1S/C11H21N5O/c1-12-9(6-11-13-8-14-16(11)3)10-7-15(2)4-5-17-10/h8-10,12H,4-7H2,1-3H3
InChIKeyLGGPFVPXCNKBFF-UHFFFAOYSA-N
XLogP-0.72
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine dihydrochloride
CID 86811670
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
2-(4-ethyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62692797
3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62691768
1-(2-methyl-1,2,4-triazol-3-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215612
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215636
1-(2-Propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215637
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215640

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 79092775) is N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CNC(Cc1ncnn1C)C1CN(C)CCO1.
What is the InChIKey of N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is LGGPFVPXCNKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-12-9(6-11-13-8-14-16(11)3)10-7-15(2)4-5-17-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 79092775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).