2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine

C13H18N4O — CID 103160292

IUPAC2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCOC(CN)Cc1nnc(C)n1-c1ccccc1
InChIInChI=1S/C13H18N4O/c1-10-15-16-13(8-12(9-14)18-2)17(10)11-6-4-3-5-7-11/h3-7,12H,8-9,14H2,1-2H3
InChIKeyVVBWDRWPSYOIRG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.09
Rot. Bonds5

About 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine

2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 103160292) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID103160292
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCOC(CN)Cc1nnc(C)n1-c1ccccc1
InChIInChI=1S/C13H18N4O/c1-10-15-16-13(8-12(9-14)18-2)17(10)11-6-4-3-5-7-11/h3-7,12H,8-9,14H2,1-2H3
InChIKeyVVBWDRWPSYOIRG-UHFFFAOYSA-N
XLogP1.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 106110822
2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 82013823
3-(chloromethyl)-5-methyl-4-phenyl-1,2,4-triazole
CID 79021080
5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 82848778
4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]aniline
CID 61360359
1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 79851160
tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
CID 52903782
3-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]-4-phenyl-1,2,4-triazole
CID 102659805
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 82044169
3-(bromomethyl)-5-(3-methoxy-2-methylpropyl)-4-phenyl-1,2,4-triazole
CID 113302222
2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160297
3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 61360765

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine (CID 103160292) is 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine is COC(CN)Cc1nnc(C)n1-c1ccccc1.
What is the InChIKey of 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is VVBWDRWPSYOIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-15-16-13(8-12(9-14)18-2)17(10)11-6-4-3-5-7-11/h3-7,12H,8-9,14H2,1-2H3.
What are the key properties of 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 103160292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).