N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C15H16N6O2 — CID 164628162

IUPACN-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccn(C)n1
InChIInChI=1S/C15H16N6O2/c1-10(12-7-8-20(2)18-12)16-14(22)9-21-15(23)11-5-3-4-6-13(11)17-19-21/h3-8,10H,9H2,1-2H3,(H,16,22)/t10-/m0/s1
InChIKeyLZIBTCAHLYITNZ-JTQLQIEISA-N
MW312.33 g/mol
LogP0.40
Rot. Bonds4

About N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 164628162) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID164628162
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccn(C)n1
InChIInChI=1S/C15H16N6O2/c1-10(12-7-8-20(2)18-12)16-14(22)9-21-15(23)11-5-3-4-6-13(11)17-19-21/h3-8,10H,9H2,1-2H3,(H,16,22)/t10-/m0/s1
InChIKeyLZIBTCAHLYITNZ-JTQLQIEISA-N
XLogP0.40
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 164628162) is N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccn(C)n1.
What is the InChIKey of N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is LZIBTCAHLYITNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10(12-7-8-20(2)18-12)16-14(22)9-21-15(23)11-5-3-4-6-13(11)17-19-21/h3-8,10H,9H2,1-2H3,(H,16,22)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 164628162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).