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

C10H17N7O — CID 107053722

IUPAC2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ncnn1Cc1cn(C)nn1
InChIInChI=1S/C10H17N7O/c1-16-6-9(14-15-16)7-17-10(12-8-13-17)5-11-3-4-18-2/h6,8,11H,3-5,7H2,1-2H3
InChIKeyMREKNCISPAYFKK-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.81
Rot. Bonds7

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

2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine (PubChem CID 107053722) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
PubChem CID107053722
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ncnn1Cc1cn(C)nn1
InChIInChI=1S/C10H17N7O/c1-16-6-9(14-15-16)7-17-10(12-8-13-17)5-11-3-4-18-2/h6,8,11H,3-5,7H2,1-2H3
InChIKeyMREKNCISPAYFKK-UHFFFAOYSA-N
XLogP-0.81
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine
CID 66402475
2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66204818
N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598149
N-[[2-(4-methoxybutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 104649613
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 63983700
2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 107053522
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107464810
2-methyl-N-[[2-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 82872224
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62757060

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine (CID 107053722) is 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine is COCCNCc1ncnn1Cc1cn(C)nn1.
What is the InChIKey of 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The InChIKey is MREKNCISPAYFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-16-6-9(14-15-16)7-17-10(12-8-13-17)5-11-3-4-18-2/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine has a molecular weight of 251.29 g/mol, XLogP of -0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 107053722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).