2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H13F3N4O — CID 62846086

IUPAC2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cnc(CNCC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N4O/c1-7-2-16-8(4-15-7)3-14-5-9(18)17-6-10(11,12)13/h2,4,14H,3,5-6H2,1H3,(H,17,18)
InChIKeyKBVZRMVLFFOBFB-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.55
Rot. Bonds5

About 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62846086) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62846086
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cnc(CNCC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N4O/c1-7-2-16-8(4-15-7)3-14-5-9(18)17-6-10(11,12)13/h2,4,14H,3,5-6H2,1H3,(H,17,18)
InChIKeyKBVZRMVLFFOBFB-UHFFFAOYSA-N
XLogP0.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 62846086) is 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cnc(CNCC(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KBVZRMVLFFOBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-7-2-16-8(4-15-7)3-14-5-9(18)17-6-10(11,12)13/h2,4,14H,3,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 262.23 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62846086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).