N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H23N5O3S — CID 164688986

About N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 164688986) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 164688986
• Molecular Formula: C17H23N5O3S
• Molecular Weight: 377.47 g/mol
• Exact Mass: 377.15
• IUPAC Name: N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: COCc1nnc2n1[C@@H](C)CN(C(=O)C(C)(C)NC(=O)c1cccs1)C2
• InChI: InChI=1S/C17H23N5O3S/c1-11-8-21(9-13-19-20-14(10-25-4)22(11)13)16(24)17(2,3)18-15(23)12-6-5-7-26-12/h5-7,11H,8-10H2,1-4H3,(H,18,23)/t11-/m0/s1
• InChIKey: FJLOFOYLNRQHPX-NSHDSACASA-N
• XLogP: 1.60
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.47
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 164688986) is N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is COCc1nnc2n1[C@@H](C)CN(C(=O)C(C)(C)NC(=O)c1cccs1)C2.

What is the InChIKey of N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is FJLOFOYLNRQHPX-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-11-8-21(9-13-19-20-14(10-25-4)22(11)13)16(24)17(2,3)18-15(23)12-6-5-7-26-12/h5-7,11H,8-10H2,1-4H3,(H,18,23)/t11-/m0/s1.

What are the key properties of N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?

N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 164688986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).