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

C15H20N4O2 — CID 107861489

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)N[C@@H](CO)Cc2ccccc2)n[nH]1
InChIInChI=1S/C15H20N4O2/c1-10(2)13-17-14(19-18-13)15(21)16-12(9-20)8-11-6-4-3-5-7-11/h3-7,10,12,20H,8-9H2,1-2H3,(H,16,21)(H,17,18,19)/t12-/m1/s1
InChIKeyPGFSZIPTQJGFBF-GFCCVEGCSA-N
MW288.35 g/mol
LogP1.26
Rot. Bonds6

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

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107861489) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
PubChem CID107861489
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)N[C@@H](CO)Cc2ccccc2)n[nH]1
InChIInChI=1S/C15H20N4O2/c1-10(2)13-17-14(19-18-13)15(21)16-12(9-20)8-11-6-4-3-5-7-11/h3-7,10,12,20H,8-9H2,1-2H3,(H,16,21)(H,17,18,19)/t12-/m1/s1
InChIKeyPGFSZIPTQJGFBF-GFCCVEGCSA-N
XLogP1.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107861491
N-(4-hydroxybutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 83188390
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
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
N-(1-hydroxy-3-phenylpropan-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 75437818
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
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)pyridine-2-carboxamide
CID 55169382

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (CID 107861489) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is CC(C)c1nc(C(=O)N[C@@H](CO)Cc2ccccc2)n[nH]1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is PGFSZIPTQJGFBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)13-17-14(19-18-13)15(21)16-12(9-20)8-11-6-4-3-5-7-11/h3-7,10,12,20H,8-9H2,1-2H3,(H,16,21)(H,17,18,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.26, 6 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-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107861489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).