2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide

C14H19N5O — CID 114778828

IUPAC2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
SMILESCc1cc(C)cc(Cn2cc(CNC(=O)CN)nn2)c1
InChIInChI=1S/C14H19N5O/c1-10-3-11(2)5-12(4-10)8-19-9-13(17-18-19)7-16-14(20)6-15/h3-5,9H,6-8,15H2,1-2H3,(H,16,20)
InChIKeyHHSBGBJSVLLVIO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide

2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide (PubChem CID 114778828) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
PubChem CID114778828
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
SMILESCc1cc(C)cc(Cn2cc(CNC(=O)CN)nn2)c1
InChIInChI=1S/C14H19N5O/c1-10-3-11(2)5-12(4-10)8-19-9-13(17-18-19)7-16-14(20)6-15/h3-5,9H,6-8,15H2,1-2H3,(H,16,20)
InChIKeyHHSBGBJSVLLVIO-UHFFFAOYSA-N
XLogP0.52
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778543
3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160081
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
2-amino-N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778855
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778690
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778203

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide (CID 114778828) is 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide is Cc1cc(C)cc(Cn2cc(CNC(=O)CN)nn2)c1.
What is the InChIKey of 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide?
The InChIKey is HHSBGBJSVLLVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-3-11(2)5-12(4-10)8-19-9-13(17-18-19)7-16-14(20)6-15/h3-5,9H,6-8,15H2,1-2H3,(H,16,20).
What are the key properties of 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).