N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C15H15N5O3 — CID 100909973

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cnc2nc[nH]n2c1=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H15N5O3/c21-8-12(10-4-2-1-3-5-10)19-13(22)6-11-7-16-15-17-9-18-20(15)14(11)23/h1-5,7,9,12,21H,6,8H2,(H,19,22)(H,16,17,18)/t12-/m0/s1
InChIKeyBIHKUFXSAITWCI-LBPRGKRZSA-N
MW313.32 g/mol
LogP-0.19
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 100909973) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID100909973
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cnc2nc[nH]n2c1=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H15N5O3/c21-8-12(10-4-2-1-3-5-10)19-13(22)6-11-7-16-15-17-9-18-20(15)14(11)23/h1-5,7,9,12,21H,6,8H2,(H,19,22)(H,16,17,18)/t12-/m0/s1
InChIKeyBIHKUFXSAITWCI-LBPRGKRZSA-N
XLogP-0.19
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 99995548
2-(4-aminophenyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184600
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 81312733
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107861946
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
2-(2,4-difluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944983
N-(1,2-diphenylethyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 154857907
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 113356359
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 100909973) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is O=C(Cc1cnc2nc[nH]n2c1=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is BIHKUFXSAITWCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N5O3/c21-8-12(10-4-2-1-3-5-10)19-13(22)6-11-7-16-15-17-9-18-20(15)14(11)23/h1-5,7,9,12,21H,6,8H2,(H,19,22)(H,16,17,18)/t12-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 313.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 100909973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).