N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C12H15N5O — CID 43601866

IUPACN-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCNCc1cccc(NC(=O)Cn2cncn2)c1
InChIInChI=1S/C12H15N5O/c1-13-6-10-3-2-4-11(5-10)16-12(18)7-17-9-14-8-15-17/h2-5,8-9,13H,6-7H2,1H3,(H,16,18)
InChIKeyHSGBWEMNXPTPPG-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.64
Rot. Bonds5

About N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43601866) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43601866
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCNCc1cccc(NC(=O)Cn2cncn2)c1
InChIInChI=1S/C12H15N5O/c1-13-6-10-3-2-4-11(5-10)16-12(18)7-17-9-14-8-15-17/h2-5,8-9,13H,6-7H2,1H3,(H,16,18)
InChIKeyHSGBWEMNXPTPPG-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-(triazol-1-yl)acetamide
CID 81481429
1-[2-[3-(methylaminomethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289946
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
N-(4-bromo-3,5-dimethylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106491136
2-[2-(methanesulfonamido)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 75463300
2-(1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3299775
1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 43601866) is N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is CNCc1cccc(NC(=O)Cn2cncn2)c1.
What is the InChIKey of N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is HSGBWEMNXPTPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-13-6-10-3-2-4-11(5-10)16-12(18)7-17-9-14-8-15-17/h2-5,8-9,13H,6-7H2,1H3,(H,16,18).
What are the key properties of N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-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-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43601866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).