(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide

C12H15N5O — CID 114125272

IUPAC(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
SMILESCn1cnc(CNC(=O)[C@H](N)c2ccccc2)n1
InChIInChI=1S/C12H15N5O/c1-17-8-15-10(16-17)7-14-12(18)11(13)9-5-3-2-4-6-9/h2-6,8,11H,7,13H2,1H3,(H,14,18)/t11-/m1/s1
InChIKeyZYNXIEMKIQXVOW-LLVKDONJSA-N
MW245.29 g/mol
LogP0.13
Rot. Bonds4

About (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide

(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide (PubChem CID 114125272) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
PubChem CID114125272
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
SMILESCn1cnc(CNC(=O)[C@H](N)c2ccccc2)n1
InChIInChI=1S/C12H15N5O/c1-17-8-15-10(16-17)7-14-12(18)11(13)9-5-3-2-4-6-9/h2-6,8,11H,7,13H2,1H3,(H,14,18)/t11-/m1/s1
InChIKeyZYNXIEMKIQXVOW-LLVKDONJSA-N
XLogP0.13
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide 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-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 103951204
2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 119878813
(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
CID 114186160
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
CID 106105015
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 115880292
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 122147436
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide (CID 114125272) is (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide is Cn1cnc(CNC(=O)[C@H](N)c2ccccc2)n1.
What is the InChIKey of (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide?
The InChIKey is ZYNXIEMKIQXVOW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-8-15-10(16-17)7-14-12(18)11(13)9-5-3-2-4-6-9/h2-6,8,11H,7,13H2,1H3,(H,14,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide?
(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide has a molecular weight of 245.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 114125272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).