1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine

C11H20BrN5O — CID 106462722

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
SMILESCCN1CCOC(C(NC)c2c(Br)nnn2C)C1
InChIInChI=1S/C11H20BrN5O/c1-4-17-5-6-18-8(7-17)9(13-2)10-11(12)14-15-16(10)3/h8-9,13H,4-7H2,1-3H3
InChIKeyXYOAJXPRWJWOJT-UHFFFAOYSA-N
MW318.22 g/mol
LogP0.56
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine

1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine (PubChem CID 106462722) has the molecular formula C11H20BrN5O and a molecular weight of 318.22 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
PubChem CID106462722
Molecular FormulaC11H20BrN5O
Molecular Weight318.22 g/mol
Exact Mass317.09
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
SMILESCCN1CCOC(C(NC)c2c(Br)nnn2C)C1
InChIInChI=1S/C11H20BrN5O/c1-4-17-5-6-18-8(7-17)9(13-2)10-11(12)14-15-16(10)3/h8-9,13H,4-7H2,1-3H3
InChIKeyXYOAJXPRWJWOJT-UHFFFAOYSA-N
XLogP0.56
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 114657785
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665894
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 114657829
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050180
1-(4-ethoxyphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 79669715
1-(4-ethylmorpholin-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 79666959
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 104542726
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-bromo-3-methyltriazol-4-yl)methyl]propan-1-amine
CID 106462691
1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79675911
[1-(4-ethylmorpholin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105247553
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 106462912
N-[(5-bromo-3-methyltriazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106462720

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine (CID 106462722) is 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine is CCN1CCOC(C(NC)c2c(Br)nnn2C)C1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine?
The InChIKey is XYOAJXPRWJWOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN5O/c1-4-17-5-6-18-8(7-17)9(13-2)10-11(12)14-15-16(10)3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine?
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine has a molecular weight of 318.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 106462722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).