N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide

C15H20N4O2 — CID 97252405

IUPACN-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCC[C@@](C)(CO)NC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O2/c1-3-9-15(2,10-20)17-14(21)13-16-11-19(18-13)12-7-5-4-6-8-12/h4-8,11,20H,3,9-10H2,1-2H3,(H,17,21)/t15-/m0/s1
InChIKeyQQYXRYIIZAMWRZ-HNNXBMFYSA-N
MW288.35 g/mol
LogP1.55
Rot. Bonds6

About N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide

N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 97252405) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID97252405
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCC[C@@](C)(CO)NC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O2/c1-3-9-15(2,10-20)17-14(21)13-16-11-19(18-13)12-7-5-4-6-8-12/h4-8,11,20H,3,9-10H2,1-2H3,(H,17,21)/t15-/m0/s1
InChIKeyQQYXRYIIZAMWRZ-HNNXBMFYSA-N
XLogP1.55
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
3-hydroxy-N-(1-hydroxy-2-methylpentan-2-yl)pyridine-2-carboxamide
CID 86802049
3-methyl-4-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 120536966
N-(3-ethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944264
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2984874
N-tert-butyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16587154
N-tert-butyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880889
1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 2991256
N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166217474
1-(1-hydroxy-2-methylpentan-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 111714218
N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75455855

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 97252405) is N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide is CCC[C@@](C)(CO)NC(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QQYXRYIIZAMWRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-9-15(2,10-20)17-14(21)13-16-11-19(18-13)12-7-5-4-6-8-12/h4-8,11,20H,3,9-10H2,1-2H3,(H,17,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide?
N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-2-methylpentan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 97252405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).