N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide

C12H15N5O — CID 81481429

IUPACN-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide
SMILESCNCc1cccc(NC(=O)Cn2ccnn2)c1
InChIInChI=1S/C12H15N5O/c1-13-8-10-3-2-4-11(7-10)15-12(18)9-17-6-5-14-16-17/h2-7,13H,8-9H2,1H3,(H,15,18)
InChIKeyXUWDQYCOYQCWJB-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.64
Rot. Bonds5

About N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide

N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide (PubChem CID 81481429) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide
PubChem CID81481429
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide
SMILESCNCc1cccc(NC(=O)Cn2ccnn2)c1
InChIInChI=1S/C12H15N5O/c1-13-8-10-3-2-4-11(7-10)15-12(18)9-17-6-5-14-16-17/h2-7,13H,8-9H2,1H3,(H,15,18)
InChIKeyXUWDQYCOYQCWJB-UHFFFAOYSA-N
XLogP0.64
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43601866
1-[2-[3-(methylaminomethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289946
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide
CID 81479348
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173
N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
CID 103824714
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide (CID 81481429) is N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide is CNCc1cccc(NC(=O)Cn2ccnn2)c1.
What is the InChIKey of N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide?
The InChIKey is XUWDQYCOYQCWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-13-8-10-3-2-4-11(7-10)15-12(18)9-17-6-5-14-16-17/h2-7,13H,8-9H2,1H3,(H,15,18).
What are the key properties of N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide?
N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 81481429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).