N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C13H16N4O2 — CID 2110452

IUPACN-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C13H16N4O2/c1-9(2)7-14-12(18)8-17-13(19)10-5-3-4-6-11(10)15-16-17/h3-6,9H,7-8H2,1-2H3,(H,14,18)
InChIKeyXPTMVTPNFSKTKB-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.56
Rot. Bonds4

About N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 2110452) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID2110452
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(C)CNC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C13H16N4O2/c1-9(2)7-14-12(18)8-17-13(19)10-5-3-4-6-11(10)15-16-17/h3-6,9H,7-8H2,1-2H3,(H,14,18)
InChIKeyXPTMVTPNFSKTKB-UHFFFAOYSA-N
XLogP0.56
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-[(2S)-2-ethylhexyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879338
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27796048
N-[(1R)-1-cyclopropylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879308
N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 91652874
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17441684
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24643797

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 2110452) is N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CC(C)CNC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is XPTMVTPNFSKTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(2)7-14-12(18)8-17-13(19)10-5-3-4-6-11(10)15-16-17/h3-6,9H,7-8H2,1-2H3,(H,14,18).
What are the key properties of N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 2110452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).