2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C16H21N5OS — CID 96500574

IUPAC2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCn2c(nnc2C2CC2)C1)c1cccs1
InChIInChI=1S/C16H21N5OS/c1-11(13-3-2-8-23-13)17-15(22)10-20-6-7-21-14(9-20)18-19-16(21)12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeyJKAFVJAJDSCLKP-NSHDSACASA-N
MW331.44 g/mol
LogP1.91
Rot. Bonds5

About 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 96500574) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID96500574
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCn2c(nnc2C2CC2)C1)c1cccs1
InChIInChI=1S/C16H21N5OS/c1-11(13-3-2-8-23-13)17-15(22)10-20-6-7-21-14(9-20)18-19-16(21)12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeyJKAFVJAJDSCLKP-NSHDSACASA-N
XLogP1.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 154748067
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 52510657
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 146124572
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 96500574) is 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)CN1CCn2c(nnc2C2CC2)C1)c1cccs1.
What is the InChIKey of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is JKAFVJAJDSCLKP-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11(13-3-2-8-23-13)17-15(22)10-20-6-7-21-14(9-20)18-19-16(21)12-4-5-12/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,17,22)/t11-/m0/s1.
What are the key properties of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 96500574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).