N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide

C12H16N4O2 — CID 79252072

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
SMILESCC(C)C(CO)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H16N4O2/c1-7(2)11(6-17)13-12(18)8-3-4-9-10(5-8)15-16-14-9/h3-5,7,11,17H,6H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyWXYUIVIKZSBDON-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.70
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 79252072) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
PubChem CID79252072
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
SMILESCC(C)C(CO)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H16N4O2/c1-7(2)11(6-17)13-12(18)8-3-4-9-10(5-8)15-16-14-9/h3-5,7,11,17H,6H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyWXYUIVIKZSBDON-UHFFFAOYSA-N
XLogP0.70
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 79252952
N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
CID 83031665
2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid
CID 61243320
N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 47067601
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 35246882
N-[(1S)-1-(4-methylphenyl)propyl]-2H-benzotriazole-5-carboxamide
CID 51562771
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide (CID 79252072) is N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide is CC(C)C(CO)NC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is WXYUIVIKZSBDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)11(6-17)13-12(18)8-3-4-9-10(5-8)15-16-14-9/h3-5,7,11,17H,6H2,1-2H3,(H,13,18)(H,14,15,16).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 79252072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).