N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide

C13H17N5O — CID 55113794

IUPACN-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cn(C)nn2)ccc1C
InChIInChI=1S/C13H17N5O/c1-9-4-5-11(6-13(9)15-10(2)19)14-7-12-8-18(3)17-16-12/h4-6,8,14H,7H2,1-3H3,(H,15,19)
InChIKeyVFFDBNLHHSZUOC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.69
Rot. Bonds4

About N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide

N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 55113794) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
PubChem CID55113794
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cn(C)nn2)ccc1C
InChIInChI=1S/C13H17N5O/c1-9-4-5-11(6-13(9)15-10(2)19)14-7-12-8-18(3)17-16-12/h4-6,8,14H,7H2,1-3H3,(H,15,19)
InChIKeyVFFDBNLHHSZUOC-UHFFFAOYSA-N
XLogP1.69
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757049
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757928
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
CID 62757407
N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide (CID 55113794) is N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(NCc2cn(C)nn2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is VFFDBNLHHSZUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-4-5-11(6-13(9)15-10(2)19)14-7-12-8-18(3)17-16-12/h4-6,8,14H,7H2,1-3H3,(H,15,19).
What are the key properties of N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide?
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 55113794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).