N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide

C13H16N4O2 — CID 107861491

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N[C@@H](CO)Cc2ccccc2)n[nH]1
InChIInChI=1S/C13H16N4O2/c1-9-14-12(17-16-9)13(19)15-11(8-18)7-10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H,15,19)(H,14,16,17)/t11-/m1/s1
InChIKeyVEXPKPPSHOJTIQ-LLVKDONJSA-N
MW260.30 g/mol
LogP0.45
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107861491) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID107861491
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N[C@@H](CO)Cc2ccccc2)n[nH]1
InChIInChI=1S/C13H16N4O2/c1-9-14-12(17-16-9)13(19)15-11(8-18)7-10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H,15,19)(H,14,16,17)/t11-/m1/s1
InChIKeyVEXPKPPSHOJTIQ-LLVKDONJSA-N
XLogP0.45
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 107861489
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29135101
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 136564699
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 110205774
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 91639467
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide (CID 107861491) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N[C@@H](CO)Cc2ccccc2)n[nH]1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VEXPKPPSHOJTIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-14-12(17-16-9)13(19)15-11(8-18)7-10-5-3-2-4-6-10/h2-6,11,18H,7-8H2,1H3,(H,15,19)(H,14,16,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107861491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).