(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide

C10H12N4O — CID 139088366

IUPAC(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
SMILESC[C@@H](Cn1nnc2ccccc21)C(N)=O
InChIInChI=1S/C10H12N4O/c1-7(10(11)15)6-14-9-5-3-2-4-8(9)12-13-14/h2-5,7H,6H2,1H3,(H2,11,15)/t7-/m0/s1
InChIKeyUVZYXZFRTZWALS-ZETCQYMHSA-N
MW204.23 g/mol
LogP0.55
Rot. Bonds3

About (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide

(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide (PubChem CID 139088366) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
PubChem CID139088366
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
SMILESC[C@@H](Cn1nnc2ccccc21)C(N)=O
InChIInChI=1S/C10H12N4O/c1-7(10(11)15)6-14-9-5-3-2-4-8(9)12-13-14/h2-5,7H,6H2,1H3,(H2,11,15)/t7-/m0/s1
InChIKeyUVZYXZFRTZWALS-ZETCQYMHSA-N
XLogP0.55
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
3-(benzotriazol-1-yl)-2-methylpropan-1-amine
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methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
CID 16671536
2-(benzotriazol-1-yl)-3-methylbutanamide
CID 46840686
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
CID 95791798
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16671741
1-(propan-2-ylsulfonylmethyl)benzotriazole
CID 5096339
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide
CID 167811569

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide?
The IUPAC name of (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide (CID 139088366) is (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide?
The canonical SMILES for (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide is C[C@@H](Cn1nnc2ccccc21)C(N)=O.
What is the InChIKey of (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide?
The InChIKey is UVZYXZFRTZWALS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(10(11)15)6-14-9-5-3-2-4-8(9)12-13-14/h2-5,7H,6H2,1H3,(H2,11,15)/t7-/m0/s1.
What are the key properties of (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide?
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide has a molecular weight of 204.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(benzotriazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 139088366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).