2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine

C11H18N6O — CID 82871698

IUPAC2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ncn(Cc2ccn(C)n2)n1
InChIInChI=1S/C11H18N6O/c1-16-5-3-10(14-16)8-17-9-13-11(15-17)7-12-4-6-18-2/h3,5,9,12H,4,6-8H2,1-2H3
InChIKeyZOWDJVBPOSRCCI-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.20
Rot. Bonds7

About 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine

2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine (PubChem CID 82871698) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
PubChem CID82871698
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ncn(Cc2ccn(C)n2)n1
InChIInChI=1S/C11H18N6O/c1-16-5-3-10(14-16)8-17-9-13-11(15-17)7-12-4-6-18-2/h3,5,9,12H,4,6-8H2,1-2H3
InChIKeyZOWDJVBPOSRCCI-UHFFFAOYSA-N
XLogP-0.20
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 82870189
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methoxyethanamine
CID 103050381
N-[[1-[(2-chloro-4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methoxyethanamine
CID 106870123
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methoxyethanamine
CID 114859941
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
2-methoxy-N-[[1-(2-propylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 106732128
2-methoxy-N-[[6-methyl-3-[(1-methylpyrazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 82866668
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106104646
N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 107054715
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406232

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine (CID 82871698) is 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine is COCCNCc1ncn(Cc2ccn(C)n2)n1.
What is the InChIKey of 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The InChIKey is ZOWDJVBPOSRCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-16-5-3-10(14-16)8-17-9-13-11(15-17)7-12-4-6-18-2/h3,5,9,12H,4,6-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine has a molecular weight of 250.31 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 82871698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).