N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide

C13H17F3N4O2 — CID 123328411

IUPACN-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESCC1C(C(=O)NO)C1c1cn2c(n1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C13H17F3N4O2/c1-7-10(11(7)12(21)18-22)8-4-20-3-2-19(5-9(20)17-8)6-13(14,15)16/h4,7,10-11,22H,2-3,5-6H2,1H3,(H,18,21)
InChIKeyQURKAEWSWQYHEO-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.12
Rot. Bonds3

About N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide

N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide (PubChem CID 123328411) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide
PubChem CID123328411
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC NameN-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESCC1C(C(=O)NO)C1c1cn2c(n1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C13H17F3N4O2/c1-7-10(11(7)12(21)18-22)8-4-20-3-2-19(5-9(20)17-8)6-13(14,15)16/h4,7,10-11,22H,2-3,5-6H2,1H3,(H,18,21)
InChIKeyQURKAEWSWQYHEO-UHFFFAOYSA-N
XLogP1.12
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide (CID 123328411) is N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide is CC1C(C(=O)NO)C1c1cn2c(n1)CN(CC(F)(F)F)CC2.
What is the InChIKey of N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is QURKAEWSWQYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-7-10(11(7)12(21)18-22)8-4-20-3-2-19(5-9(20)17-8)6-13(14,15)16/h4,7,10-11,22H,2-3,5-6H2,1H3,(H,18,21).
What are the key properties of N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide?
N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-3-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123328411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).