1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine

C13H18N4O — CID 63644369

IUPAC1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C13H18N4O/c1-10(9-18-2)14-8-12-13(16-17-15-12)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyUWFOSOLPZQURNY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.60
Rot. Bonds6

About 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine

1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine (PubChem CID 63644369) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
PubChem CID63644369
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C13H18N4O/c1-10(9-18-2)14-8-12-13(16-17-15-12)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyUWFOSOLPZQURNY-UHFFFAOYSA-N
XLogP1.60
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
CID 63643148
methyl (2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanoate
CID 63643313
N-(2-methylpropoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 82709211
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
CID 63643657
N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 82712292
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 63643841
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide
CID 63641906
N-[(5-phenyl-2H-triazol-4-yl)methyl]hex-1-yn-3-amine
CID 106225752
4-ethyl-5-phenyl-2H-triazole
CID 15501643
methyl 2-methyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanoate
CID 63643314
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 63641898

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine (CID 63644369) is 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine is COCC(C)NCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine?
The InChIKey is UWFOSOLPZQURNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(9-18-2)14-8-12-13(16-17-15-12)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine?
1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 63644369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).