5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide

C10H13F3N4O — CID 112737851

IUPAC5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide
SMILESNCCC(CC(=O)Nc1cnccn1)C(F)(F)F
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7(1-2-14)5-9(18)17-8-6-15-3-4-16-8/h3-4,6-7H,1-2,5,14H2,(H,16,17,18)
InChIKeyACWIFQWMLANHDS-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.33
Rot. Bonds5

About 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide

5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide (PubChem CID 112737851) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide
PubChem CID112737851
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide
SMILESNCCC(CC(=O)Nc1cnccn1)C(F)(F)F
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7(1-2-14)5-9(18)17-8-6-15-3-4-16-8/h3-4,6-7H,1-2,5,14H2,(H,16,17,18)
InChIKeyACWIFQWMLANHDS-UHFFFAOYSA-N
XLogP1.33
TPSA80.90 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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45882468
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CID 75485099
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CID 75508760
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CID 86794698
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CID 164633727
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CID 24865978
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CID 43616167
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CID 59436310
CID 59436310

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide?
The IUPAC name of 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide (CID 112737851) is 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide.
What is the SMILES notation for 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide?
The canonical SMILES for 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide is NCCC(CC(=O)Nc1cnccn1)C(F)(F)F.
What is the InChIKey of 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide?
The InChIKey is ACWIFQWMLANHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7(1-2-14)5-9(18)17-8-6-15-3-4-16-8/h3-4,6-7H,1-2,5,14H2,(H,16,17,18).
What are the key properties of 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide?
5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide has a molecular weight of 262.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-pyrazin-2-yl-3-(trifluoromethyl)pentanamide is sourced from PubChem (CID 112737851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).