2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide

C16H16N6O2 — CID 124761044

IUPAC2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
SMILESO=C(Cn1ncccc1=O)N[C@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C16H16N6O2/c23-15(12-21-16(24)7-4-8-17-21)20-14(11-22-18-9-10-19-22)13-5-2-1-3-6-13/h1-10,14H,11-12H2,(H,20,23)/t14-/m1/s1
InChIKeyVAHYBGZGQLFVRH-CQSZACIVSA-N
MW324.34 g/mol
LogP0.39
Rot. Bonds6

About 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide

2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide (PubChem CID 124761044) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
PubChem CID124761044
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
SMILESO=C(Cn1ncccc1=O)N[C@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C16H16N6O2/c23-15(12-21-16(24)7-4-8-17-21)20-14(11-22-18-9-10-19-22)13-5-2-1-3-6-13/h1-10,14H,11-12H2,(H,20,23)/t14-/m1/s1
InChIKeyVAHYBGZGQLFVRH-CQSZACIVSA-N
XLogP0.39
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 62851014
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176264
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176489
2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
CID 77094542
2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 121176289
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124615249
2-phenacylpyridazin-3-one
CID 62851024

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide (CID 124761044) is 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide is O=C(Cn1ncccc1=O)N[C@H](Cn1nccn1)c1ccccc1.
What is the InChIKey of 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The InChIKey is VAHYBGZGQLFVRH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-15(12-21-16(24)7-4-8-17-21)20-14(11-22-18-9-10-19-22)13-5-2-1-3-6-13/h1-10,14H,11-12H2,(H,20,23)/t14-/m1/s1.
What are the key properties of 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 124761044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).