N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide

C16H21N5O2S — CID 56778822

About N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide

N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide (PubChem CID 56778822) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide
• PubChem CID: 56778822
• Molecular Formula: C16H21N5O2S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.14
• IUPAC Name: N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide
• SMILES: CC(=O)NCc1ccc(C(=O)N2CCn3c(nnc3C(C)C)C2)s1
• InChI: InChI=1S/C16H21N5O2S/c1-10(2)15-19-18-14-9-20(6-7-21(14)15)16(23)13-5-4-12(24-13)8-17-11(3)22/h4-5,10H,6-9H2,1-3H3,(H,17,22)
• InChIKey: SFFJJJBVEAGMSJ-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide?

The IUPAC name of N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide (CID 56778822) is N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide?

The canonical SMILES for N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCn3c(nnc3C(C)C)C2)s1.

What is the InChIKey of N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide?

The InChIKey is SFFJJJBVEAGMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(2)15-19-18-14-9-20(6-7-21(14)15)16(23)13-5-4-12(24-13)8-17-11(3)22/h4-5,10H,6-9H2,1-3H3,(H,17,22).

What are the key properties of N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide?

N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 56778822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).