N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine

C12H16BrN5O — CID 106464806

IUPACN-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccnc1OC)c1c(Br)nnn1C
InChIInChI=1S/C12H16BrN5O/c1-4-14-9(10-11(13)16-17-18(10)2)8-6-5-7-15-12(8)19-3/h5-7,9,14H,4H2,1-3H3
InChIKeyGTEOAUJFQCULNY-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.68
Rot. Bonds5

About N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine

N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 106464806) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID106464806
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC NameN-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccnc1OC)c1c(Br)nnn1C
InChIInChI=1S/C12H16BrN5O/c1-4-14-9(10-11(13)16-17-18(10)2)8-6-5-7-15-12(8)19-3/h5-7,9,14H,4H2,1-3H3
InChIKeyGTEOAUJFQCULNY-UHFFFAOYSA-N
XLogP1.68
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105189806
N-[(3-bromo-2-methylphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]ethanamine
CID 106465338
N-[(2-bromo-3-methylphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]ethanamine
CID 107985564
N-[(5-bromo-3-methyltriazol-4-yl)-phenylmethyl]ethanamine
CID 106462129
[(5-bromo-3-methyltriazol-4-yl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 106466380
N-[(5-bromo-3-methyltriazol-4-yl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 106465382
N-[(5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methyl]ethanamine
CID 106462713
N-[(5-bromo-3-methyltriazol-4-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 106463071
N-[(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 106465075
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160979
N-[(2-methoxy-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 115605108
N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105109075

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine (CID 106464806) is N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cccnc1OC)c1c(Br)nnn1C.
What is the InChIKey of N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is GTEOAUJFQCULNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-4-14-9(10-11(13)16-17-18(10)2)8-6-5-7-15-12(8)19-3/h5-7,9,14H,4H2,1-3H3.
What are the key properties of N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 326.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 106464806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).