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

C12H19N7O2 — CID 114778448

IUPAC2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide
SMILESCC(C)Cc1noc(Cn2cc(CNC(=O)CN)nn2)n1
InChIInChI=1S/C12H19N7O2/c1-8(2)3-10-15-12(21-17-10)7-19-6-9(16-18-19)5-14-11(20)4-13/h6,8H,3-5,7,13H2,1-2H3,(H,14,20)
InChIKeyVNTDKDJWCJODEJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.52
Rot. Bonds7

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

2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide (PubChem CID 114778448) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide
PubChem CID114778448
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide
SMILESCC(C)Cc1noc(Cn2cc(CNC(=O)CN)nn2)n1
InChIInChI=1S/C12H19N7O2/c1-8(2)3-10-15-12(21-17-10)7-19-6-9(16-18-19)5-14-11(20)4-13/h6,8H,3-5,7,13H2,1-2H3,(H,14,20)
InChIKeyVNTDKDJWCJODEJ-UHFFFAOYSA-N
XLogP-0.52
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid
CID 107461534
2-amino-N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778671
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
[1-[[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458336
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194289
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192609
2-amino-3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propanoic acid
CID 116734975
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 113314102

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide (CID 114778448) is 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide is CC(C)Cc1noc(Cn2cc(CNC(=O)CN)nn2)n1.
What is the InChIKey of 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide?
The InChIKey is VNTDKDJWCJODEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-8(2)3-10-15-12(21-17-10)7-19-6-9(16-18-19)5-14-11(20)4-13/h6,8H,3-5,7,13H2,1-2H3,(H,14,20).
What are the key properties of 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide has a molecular weight of 293.33 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).