N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide

C16H20N4O2 — CID 16671373

IUPACN-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide
SMILESCC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C1CCC1
InChIInChI=1S/C16H20N4O2/c1-2-12(17-15(21)11-6-5-7-11)10-20-16(22)13-8-3-4-9-14(13)18-19-20/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyBRCWXEICKOLVSC-GFCCVEGCSA-N
MW300.36 g/mol
LogP1.49
Rot. Bonds5

About N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide

N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide (PubChem CID 16671373) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide
PubChem CID16671373
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide
SMILESCC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C1CCC1
InChIInChI=1S/C16H20N4O2/c1-2-12(17-15(21)11-6-5-7-11)10-20-16(22)13-8-3-4-9-14(13)18-19-20/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyBRCWXEICKOLVSC-GFCCVEGCSA-N
XLogP1.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide (CID 16671373) is N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide is CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C1CCC1.
What is the InChIKey of N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide?
The InChIKey is BRCWXEICKOLVSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-12(17-15(21)11-6-5-7-11)10-20-16(22)13-8-3-4-9-14(13)18-19-20/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide?
N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 16671373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).