2-(benzotriazol-1-yl)-3-methylbutanamide

C11H14N4O — CID 46840686

IUPAC2-(benzotriazol-1-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)n1nnc2ccccc21
InChIInChI=1S/C11H14N4O/c1-7(2)10(11(12)16)15-9-6-4-3-5-8(9)13-14-15/h3-7,10H,1-2H3,(H2,12,16)
InChIKeyYMRSHYFEJSTWAJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.11
Rot. Bonds3

About 2-(benzotriazol-1-yl)-3-methylbutanamide

2-(benzotriazol-1-yl)-3-methylbutanamide (PubChem CID 46840686) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-3-methylbutanamide
PubChem CID46840686
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(benzotriazol-1-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)n1nnc2ccccc21
InChIInChI=1S/C11H14N4O/c1-7(2)10(11(12)16)15-9-6-4-3-5-8(9)13-14-15/h3-7,10H,1-2H3,(H2,12,16)
InChIKeyYMRSHYFEJSTWAJ-UHFFFAOYSA-N
XLogP1.11
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-3-methyl-1-oxobutan-2-yl)benzotriazole-5-carboxylic acid
CID 106345754
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
N-[1-(benzotriazol-1-yl)-2-methylpropyl]-N-methylacetamide
CID 10444605
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate
CID 3694586
3,5-bis[1-(benzotriazol-1-yl)ethyl]-1,2,4-triazol-4-amine
CID 3767723
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-3-methylbutanamide?
The IUPAC name of 2-(benzotriazol-1-yl)-3-methylbutanamide (CID 46840686) is 2-(benzotriazol-1-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-3-methylbutanamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-3-methylbutanamide is CC(C)C(C(N)=O)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-3-methylbutanamide?
The InChIKey is YMRSHYFEJSTWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)10(11(12)16)15-9-6-4-3-5-8(9)13-14-15/h3-7,10H,1-2H3,(H2,12,16).
What are the key properties of 2-(benzotriazol-1-yl)-3-methylbutanamide?
2-(benzotriazol-1-yl)-3-methylbutanamide has a molecular weight of 218.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-3-methylbutanamide is sourced from PubChem (CID 46840686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).