2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide

C9H17N5O2 — CID 114778510

IUPAC2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
SMILESCC(O)C(C)n1cc(CNC(=O)CN)nn1
InChIInChI=1S/C9H17N5O2/c1-6(7(2)15)14-5-8(12-13-14)4-11-9(16)3-10/h5-7,15H,3-4,10H2,1-2H3,(H,11,16)
InChIKeyZYUNBHSWIMGJKX-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.21
Rot. Bonds5

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

2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide (PubChem CID 114778510) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
PubChem CID114778510
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
SMILESCC(O)C(C)n1cc(CNC(=O)CN)nn1
InChIInChI=1S/C9H17N5O2/c1-6(7(2)15)14-5-8(12-13-14)4-11-9(16)3-10/h5-7,15H,3-4,10H2,1-2H3,(H,11,16)
InChIKeyZYUNBHSWIMGJKX-UHFFFAOYSA-N
XLogP-1.21
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
CID 114778173
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N,N-diethylpropanamide
CID 114778394
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778570
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
CID 114778694
2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide
CID 114778448
2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
CID 114778318
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide (CID 114778510) is 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide is CC(O)C(C)n1cc(CNC(=O)CN)nn1.
What is the InChIKey of 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide?
The InChIKey is ZYUNBHSWIMGJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(7(2)15)14-5-8(12-13-14)4-11-9(16)3-10/h5-7,15H,3-4,10H2,1-2H3,(H,11,16).
What are the key properties of 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide has a molecular weight of 227.27 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).