(2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide

C18H20N6O2 — CID 97414837

IUPAC(2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)NCCn1nc(-n2cncn2)ccc1=O)c1ccccc1
InChIInChI=1S/C18H20N6O2/c1-2-15(14-6-4-3-5-7-14)18(26)20-10-11-23-17(25)9-8-16(22-23)24-13-19-12-21-24/h3-9,12-13,15H,2,10-11H2,1H3,(H,20,26)/t15-/m0/s1
InChIKeyCRPBNOXATCANPU-HNNXBMFYSA-N
MW352.40 g/mol
LogP1.13
Rot. Bonds7

About (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide

(2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide (PubChem CID 97414837) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide
PubChem CID97414837
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)NCCn1nc(-n2cncn2)ccc1=O)c1ccccc1
InChIInChI=1S/C18H20N6O2/c1-2-15(14-6-4-3-5-7-14)18(26)20-10-11-23-17(25)9-8-16(22-23)24-13-19-12-21-24/h3-9,12-13,15H,2,10-11H2,1H3,(H,20,26)/t15-/m0/s1
InChIKeyCRPBNOXATCANPU-HNNXBMFYSA-N
XLogP1.13
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide with MolForge

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Related Compounds

2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
CID 71805227
1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide
CID 71805238
2-methyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 71805251
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide
CID 71805261
4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide
CID 71805250
2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
CID 71805232
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenylbutanamide
CID 90515546
2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121145863
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805266
3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide
CID 71805242
4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
CID 71805265
(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide
CID 97427511

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide (CID 97414837) is (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide is CC[C@H](C(=O)NCCn1nc(-n2cncn2)ccc1=O)c1ccccc1.
What is the InChIKey of (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide?
The InChIKey is CRPBNOXATCANPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-2-15(14-6-4-3-5-7-14)18(26)20-10-11-23-17(25)9-8-16(22-23)24-13-19-12-21-24/h3-9,12-13,15H,2,10-11H2,1H3,(H,20,26)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide?
(2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide has a molecular weight of 352.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide is sourced from PubChem (CID 97414837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).