N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine

C6H12N4O — CID 174275022

IUPACN-methyl-2-(1-methyltriazol-4-yl)oxyethanamine
SMILESCNCCOc1cn(C)nn1
InChIInChI=1S/C6H12N4O/c1-7-3-4-11-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3
InChIKeyADRJUMWSSZULCF-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.59
Rot. Bonds4

About N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine

N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine (PubChem CID 174275022) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methyltriazol-4-yl)oxyethanamine
PubChem CID174275022
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC NameN-methyl-2-(1-methyltriazol-4-yl)oxyethanamine
SMILESCNCCOc1cn(C)nn1
InChIInChI=1S/C6H12N4O/c1-7-3-4-11-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3
InChIKeyADRJUMWSSZULCF-UHFFFAOYSA-N
XLogP-0.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine (CID 174275022) is N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine is CNCCOc1cn(C)nn1.
What is the InChIKey of N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine?
The InChIKey is ADRJUMWSSZULCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-7-3-4-11-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine?
N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine has a molecular weight of 156.19 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine is sourced from PubChem (CID 174275022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).