1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine

C13H18N4O — CID 117167633

IUPAC1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cn(-c2cccc(OC)c2)nn1
InChIInChI=1S/C13H18N4O/c1-10(14-2)7-11-9-17(16-15-11)12-5-4-6-13(8-12)18-3/h4-6,8-10,14H,7H2,1-3H3
InChIKeyQWPSJVRLSQMGBP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.43
Rot. Bonds5

About 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine

1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine (PubChem CID 117167633) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
PubChem CID117167633
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cn(-c2cccc(OC)c2)nn1
InChIInChI=1S/C13H18N4O/c1-10(14-2)7-11-9-17(16-15-11)12-5-4-6-13(8-12)18-3/h4-6,8-10,14H,7H2,1-3H3
InChIKeyQWPSJVRLSQMGBP-UHFFFAOYSA-N
XLogP1.43
TPSA51.97 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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-methylquinolin-4-amine
CID 166219460
1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol
CID 117167563
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
CID 63997508
4-(bromomethyl)-1-(3-ethoxyphenyl)triazole
CID 62399472
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine
CID 115083827
N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167498
1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 47089378
2-chloro-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-4-nitroaniline
CID 47092326
1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
CID 141302836
[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine
CID 130302363

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine (CID 117167633) is 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine is CNC(C)Cc1cn(-c2cccc(OC)c2)nn1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is QWPSJVRLSQMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(14-2)7-11-9-17(16-15-11)12-5-4-6-13(8-12)18-3/h4-6,8-10,14H,7H2,1-3H3.
What are the key properties of 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine?
1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 117167633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).